<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">341592</id>
  <title nil="true"/>
  <common-name>4-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide</common-name>
  <description>4-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide is a chemical compound with the formula C25H22N4O4S. It has an average molecular weight of 474.50 g/mol.</description>
  <cas>618432-26-1</cas>
  <pubchem-id>1964472</pubchem-id>
  <chemical-formula>C25H22N4O4S</chemical-formula>
  <weight>474.5</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">2026-08-31T02:09:14Z</created-at>
  <updated-at type="dateTime">2026-08-31T02:09:14Z</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(=O)N</moldb-smiles>
  <moldb-formula>C25H22N4O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C25H22N4O4S/c1-2-33-19-13-11-18(12-14-19)29-24(32)20-5-3-4-6-21(20)28-25(29)34-15-22(30)27-17-9-7-16(8-10-17)23(26)31/h3-14H,2,15H2,1H3,(H2,26,31)(H,27,30)</moldb-inchi>
  <moldb-inchikey>FYNWOYRXYHJBEG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">474.1361764</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</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>CHEM337485</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>4-[[2-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzamide</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>Benzoic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291990</sync-id>
  <structure-inchikey>FYNWOYRXYHJBEG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200400800002100800000800000000000100000000004400000000000042000420200004000000002084000000000080000000000000000080200000000000000000000000000000000020000000200100000200000010000000000000010000000010000000000000040000000100000000000000000000000000000040000400804000000000000080001000000100000000020000000000000000000000000000040000084000000000000000090000000000002000000008000000040000002000000000000000000000004000000100000200000000000000008040000001000040000000000400000000010000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:29Z</structure-indexed-at>
</compound>
