<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334776</id>
  <title nil="true"/>
  <common-name>2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4-dimethoxyphenyl)acetamide</common-name>
  <description>2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4-dimethoxyphenyl)acetamide is a chemical compound with the formula C23H20BrN5O3S. With an average molecular weight of 526.40 g/mol, 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4-dimethoxyphenyl)acetamide is a heavy molecule.</description>
  <cas>477329-70-7</cas>
  <pubchem-id>1415976</pubchem-id>
  <chemical-formula>C23H20BrN5O3S</chemical-formula>
  <weight>526.4</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">2026-08-30T16:37:09Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:37:09Z</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>COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4)OC</moldb-smiles>
  <moldb-formula>C23H20BrN5O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H20BrN5O3S/c1-31-18-7-8-19(20(13-18)32-2)26-21(30)14-33-23-28-27-22(15-9-11-25-12-10-15)29(23)17-5-3-16(24)4-6-17/h3-13H,14H2,1-2H3,(H,26,30)</moldb-inchi>
  <moldb-inchikey>DSZPLJQDXONVGY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">525.04702</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.1</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>CHEM330669</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>2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2,4-dimethoxyphenyl)acetamide</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>Pyridines and derivatives</klass>
  <subklass>Pyridyltriazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285253</sync-id>
  <structure-inchikey>DSZPLJQDXONVGY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200000800000000800000000000000000000000000004000400000000000000000200004008000002180000000000000000000000000200000000000000080000000000000000000100020000000000100000208800010000000040000010000000040000000100000000400000100000000000000000000100000000040000000000000000000000084880000010000800080000000000000000000000000000000000000080000000000000000410000000000002c00000080000000000000001000000100004000000000000000002000000200000000000000008040000000802040000000000400000008010028000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAhAAAAJAAAAIABBgBgAAAAAQMIACgAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:35Z</structure-indexed-at>
</compound>
