<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334664</id>
  <title nil="true"/>
  <common-name>3-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one</common-name>
  <description>3-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-one is a chemical compound with the formula C23H19FN2O2S. It has an average molecular weight of 406.50 g/mol.</description>
  <cas>763139-06-6</cas>
  <pubchem-id>1886845</pubchem-id>
  <chemical-formula>C23H19FN2O2S</chemical-formula>
  <weight>406.5</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">2026-08-30T16:26:59Z</created-at>
  <updated-at type="dateTime">2026-08-30T16:26:59Z</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=C2SCC4=CC=C(C=C4)F</moldb-smiles>
  <moldb-formula>C23H19FN2O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H19FN2O2S/c1-2-28-19-13-11-18(12-14-19)26-22(27)20-5-3-4-6-21(20)25-23(26)29-15-16-7-9-17(24)10-8-16/h3-14H,2,15H2,1H3</moldb-inchi>
  <moldb-inchikey>SZJRAYAMWFUBTF-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">406.1151272</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.3</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>CHEM330557</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>3-(4-ethoxyphenyl)-2-[(4-fluorophenyl)methylsulfanyl]quinazolin-4-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>Organoheterocyclic compounds</superklass>
  <klass>Diazanaphthalenes</klass>
  <subklass>Benzodiazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285141</sync-id>
  <structure-inchikey>SZJRAYAMWFUBTF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200400802002100800000000000000000000000000004400000000000042000220200004000000002004000000000000000001000000000080200000000000000000000000000100000020000000200110000200000010002000000000000000000000000000000000000000000100000000000000000000000000000040000000804000000000000000000000000100000000020000000000100000000000000000040000080000002000000000080000000000000000000008000000040000002000000000000000020000000000000000000220000000000000000040000001000040000000000000800000000000000040000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAIAAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:29Z</structure-indexed-at>
</compound>
