345832 <common-name>2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2-phenylphenyl)acetamide</common-name> <description>2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2-phenylphenyl)acetamide is a chemical compound with the formula C27H20BrN5OS. With an average molecular weight of 542.50 g/mol, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2-phenylphenyl)acetamide is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>1588994</pubchem-id> <chemical-formula>C27H20BrN5OS</chemical-formula> <weight>542.5</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">2026-08-31T08:50:35Z</created-at> <updated-at type="dateTime">2026-08-31T08:50:35Z</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>C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Br)C5=CN=CC=C5</moldb-smiles> <moldb-formula>C27H20BrN5OS</moldb-formula> <moldb-inchi>InChI=1S/C27H20BrN5OS/c28-21-12-14-22(15-13-21)33-26(20-9-6-16-29-17-20)31-32-27(33)35-18-25(34)30-24-11-5-4-10-23(24)19-7-2-1-3-8-19/h1-17H,18H2,(H,30,34)</moldb-inchi> <moldb-inchikey>MXDGHJOAZCDBOH-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">541.05719</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.7</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>CHEM341725</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-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-n-(2-phenylphenyl)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>Benzenoids</superklass> <klass>Benzene and substituted derivatives</klass> <subklass>Biphenyls and derivatives</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296186</sync-id> <structure-inchikey>MXDGHJOAZCDBOH-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>4000200000800000000800000000000000000000000002004000004002000000000000000004008000002084000000000004000000000000000000000000000000000000000000000000000020000000000000000000c08010000000000000010000000000000000000000000400000100000000000080000000000000100000000000800000000000000084880000010100000080000000000000000000000000000000000000080000000000000000410000000000002c00000100000000000020001000000100004000100000008000002000000200000000000000008040000000002040000000000400000008010000000040000000000000</structure-fingerprint> 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