349500 <common-name>2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chloro-2-methoxy-5-methylphenyl)acetamide</common-name> <description>2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chloro-2-methoxy-5-methylphenyl)acetamide is a chemical compound with the formula C29H31ClN4O3S. With an average molecular weight of 551.10 g/mol, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chloro-2-methoxy-5-methylphenyl)acetamide is a heavy molecule.</description> <cas>477313-62-5</cas> <pubchem-id>2060103</pubchem-id> <chemical-formula>C29H31ClN4O3S</chemical-formula> <weight>551.1</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">2026-08-31T14:07:01Z</created-at> <updated-at type="dateTime">2026-08-31T14:07:01Z</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=C1Cl)OC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C</moldb-smiles> <moldb-formula>C29H31ClN4O3S</moldb-formula> <moldb-inchi>InChI=1S/C29H31ClN4O3S/c1-18-15-24(25(37-6)16-23(18)30)31-26(35)17-38-28-33-32-27(19-7-9-20(10-8-19)29(2,3)4)34(28)21-11-13-22(36-5)14-12-21/h7-16H,17H2,1-6H3,(H,31,35)</moldb-inchi> <moldb-inchikey>PBHSFLWNKLKUSU-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">550.1805397</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.1</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>CHEM345393</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-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-(4-chloro-2-methoxy-5-methylphenyl)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>CED0299824</sync-id> <structure-inchikey>PBHSFLWNKLKUSU-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>404000200000800000002800000000000000000000000000004000c00000000000000000200004008002002080800000000000000000000000200000000010000000400000000000000000000020000000000100000200000010000000040000010000010040000000100000800000000100000000000000000000100000000060000000000000000000000080880000010000000080000000000000000000000000001000000000080100000040000001410000000000002c00000080000800000000000000000000000000400010000000002000000200000000000000008040000000000040000000004400000008010020000040000000000000</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��� ��h���h���h���h���h��� ����� ��h���h���h�� h� !h��"�"#�"$�"%���h���h���h�!�h�B���������������������������� !�����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:47:36Z</structure-indexed-at> </compound>