<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341502</id>
  <title nil="true"/>
  <common-name>N-(3-chloro-4-methylphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide</common-name>
  <description>N-(3-chloro-4-methylphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is a chemical compound with the formula C25H22ClN3O3S. It has an average molecular weight of 480.00 g/mol.</description>
  <cas>585551-93-5</cas>
  <pubchem-id>1989031</pubchem-id>
  <chemical-formula>C25H22ClN3O3S</chemical-formula>
  <weight>480</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">2026-08-31T01:55:56Z</created-at>
  <updated-at type="dateTime">2026-08-31T01:55:56Z</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>CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC(=C(C=C4)C)Cl</moldb-smiles>
  <moldb-formula>C25H22ClN3O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C25H22ClN3O3S/c1-3-32-19-12-10-18(11-13-19)29-24(31)20-6-4-5-7-22(20)28-25(29)33-15-23(30)27-17-9-8-16(2)21(26)14-17/h4-14H,3,15H2,1-2H3,(H,27,30)</moldb-inchi>
  <moldb-inchikey>XDOJGACGHLMITB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">479.1070404</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.6</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>CHEM337395</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>N-(3-chloro-4-methylphenyl)-2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide</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>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291900</sync-id>
  <structure-inchikey>XDOJGACGHLMITB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200400800002100800000000000000008100000000004400000000000042000020200004000002002084000000000000000000000000000080200010000000400000000000000000000020000000200100000200000010000000000000010000000010000000100000040000000100000000000000000000000000000040000000804000000000000080000000000100000000020000000000000000000000000000040000080100000000000000090000008000002000000008000000040400002000000000000000000010100000002000000200000000000000008040000001000040000000000400000000010000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���$���€���`�������`�������(������@(������@h�������@h�������@(������@h�������@h�������@(������@(�������(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������� ������`�������(�������(�������h�������@(������@h�������@(������@(������@h�������@h��������`������� ������������� ��h���h���h���h���h��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:41:26Z</structure-indexed-at>
</compound>
