<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334173</id>
  <title nil="true"/>
  <common-name>2-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-n-(4-ethoxyphenyl)acetamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>5017505</pubchem-id>
  <chemical-formula>C23H17BrF3N3O2S</chemical-formula>
  <weight>536.4</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">2026-08-30T15:46:10Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:46:10Z</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)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)Br)C(F)(F)F)C#N</moldb-smiles>
  <moldb-formula>C23H17BrF3N3O2S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H17BrF3N3O2S/c1-2-32-17-9-7-16(8-10-17)29-21(31)13-33-22-18(12-28)19(23(25,26)27)11-20(30-22)14-3-5-15(24)6-4-14/h3-11H,2,13H2,1H3,(H,29,31)</moldb-inchi>
  <moldb-inchikey>OWKCCDAGYLDDTI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">535.0177</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.9</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>CHEM330066</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-[[6-(4-bromophenyl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-n-(4-ethoxyphenyl)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>Phenylpyridines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284651</sync-id>
  <structure-inchikey>OWKCCDAGYLDDTI-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8040000004008000020028000000000000000001000004000004000002000000120000002000040002000020000000001000000000000000000000000000000000000000000000000000000000200000200001000002008000000000000002000140000000100000001000008404080000000000000008000000000000000000400004000200000000008000848000000000000000000a00000000000000000000000000000000000880000000000000000d0008000000002000000000000000000000000000000100004000000000000000000000000200000000000000008000000001008040000000000400800004010010000000000000000000</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��	 	
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:36:05Z</structure-indexed-at>
</compound>
