<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">353207</id>
  <title nil="true"/>
  <common-name>(3e)-1-(diethylaminomethyl)-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one</common-name>
  <description>(3e)-1-(diethylaminomethyl)-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one is a chemical compound with the formula C34H30N6O2S. With an average molecular weight of 586.70 g/mol, (3e)-1-(diethylaminomethyl)-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one is a heavy molecule.</description>
  <cas>139032-31-8</cas>
  <pubchem-id>9588712</pubchem-id>
  <chemical-formula>C34H30N6O2S</chemical-formula>
  <weight>586.7</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-31T20:00:21Z</created-at>
  <updated-at type="dateTime">2026-08-31T20:00:21Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCN(CC)CN1C2=CC=CC=C2C(=NC3=NC(=C(S3)N=NC4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=CC=C6)C1=O</moldb-smiles>
  <moldb-formula>C34H30N6O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C34H30N6O2S/c1-3-39(4-2)23-40-29-18-12-11-17-28(29)31(33(40)41)36-34-35-30(24-13-7-5-8-14-24)32(43-34)38-37-25-19-21-27(22-20-25)42-26-15-9-6-10-16-26/h5-22H,3-4,23H2,1-2H3/b36-31+,38-37?</moldb-inchi>
  <moldb-inchikey>HMECECQNTDWOPP-KNCLGTOZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">586.2150954</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>8.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM349100</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>(3e)-1-(diethylaminomethyl)-3-[[5-[(4-phenoxyphenyl)diazenyl]-4-phenyl-1,3-thiazol-2-yl]imino]indol-2-one</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylethers</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0303491</sync-id>
  <structure-inchikey>HMECECQNTDWOPP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20000000000800000000000000000002020000040200000000000100000000002000020300000008000002004000000000000000000010000000002000000000000200000080000000000000120000010080100000204008000000000000000000000000000000000014000000000001900000000000080000000001000000040000000800000080000000000800000008104000000000008000000000100000000000000000000080200000020010000000000000000000000000000000000000100000000400000010000000080000000000000000200000000000001000001000003000040000000000000000000000004060100010000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������+���0���€���`�������`������� ������`�������`�������`�������(������@(������@h�������@h�������@h�������@h�������@(�������(�������(������@(������@(������@(������@(������@(�������(�������(������@(������@h�������@h�������@(������@h�������@h��������(������@(������@h�������@h�������@h�������@h�������@h�������@(������@h�������@h�������@h�������@h�������@h��������(�������(�������������������������� ��h��	h�	
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�h���h�� �(��� ��h���h���h���h��� ��(��� ��h���h���h���h���h��� �� ��h���h�� h� !h�!"h��# #$h�$%h�%&amp;h�&amp;'h�'(h�) )*(�)� ��h���h���h�"�h�(#h�B��������)��	
������������������� !"��$%&amp;'(#����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:50:55Z</structure-indexed-at>
</compound>
