<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344158</id>
  <title nil="true"/>
  <common-name>N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide</common-name>
  <description>N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is a chemical compound with the formula C26H24ClN5O3S. With an average molecular weight of 522.00 g/mol, N-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide is a heavy molecule.</description>
  <cas>476485-78-6</cas>
  <pubchem-id>1307178</pubchem-id>
  <chemical-formula>C26H24ClN5O3S</chemical-formula>
  <weight>522</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">2026-08-31T05:59:39Z</created-at>
  <updated-at type="dateTime">2026-08-31T05:59:39Z</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>CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)NC(=O)C)OC)C4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C26H24ClN5O3S</moldb-formula>
  <moldb-inchi>InChI=1S/C26H24ClN5O3S/c1-16-4-11-21(12-5-16)32-25(18-6-8-19(27)9-7-18)30-31-26(32)36-15-24(34)29-22-14-20(28-17(2)33)10-13-23(22)35-3/h4-14H,15H2,1-3H3,(H,28,33)(H,29,34)</moldb-inchi>
  <moldb-inchikey>ZSLQWJATQDOVAY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">521.1288385</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.6</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>CHEM340051</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-(5-acetamido-2-methoxyphenyl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]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>Azoles</klass>
  <subklass>Triazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0294531</sync-id>
  <structure-inchikey>ZSLQWJATQDOVAY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000200000800200000800000000000000008100000080005004400000000000000000000004008000002080000000000000000000000000200000000020040000400000000000000000000020000000000100000000000010000000000000010080000050400000100000800000000100000000000000000000400000000060020000000000000000000080880000010000000080000000000000000000000000000000000000080000000000000000410000000000002c00000080000000000000000000000000000000000010000000002000000200000000000000008140000000000040000000000480000008010020000040000000020000</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���h��� ��h��	h�	
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�h����������(��� �� ��h���h���h���h���h��� �� ��(������ ����� ��h���h�� h� !h�!"h� #���h���h���h�"�h�B������������	���
���������� !"�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:27Z</structure-indexed-at>
</compound>
