351595 <common-name>2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-phenyl-n-propan-2-ylacetamide</common-name> <description>2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-phenyl-n-propan-2-ylacetamide is a chemical compound with the formula C31H36N4O2S. With an average molecular weight of 528.70 g/mol, 2-[[5-[(4-tert-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-phenyl-n-propan-2-ylacetamide is a heavy molecule.</description> <cas>538337-73-4</cas> <pubchem-id>4586835</pubchem-id> <chemical-formula>C31H36N4O2S</chemical-formula> <weight>528.7</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">2026-08-31T17:23:20Z</created-at> <updated-at type="dateTime">2026-08-31T17:23:20Z</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(=CC=C1)N2C(=NN=C2SCC(=O)N(C3=CC=CC=C3)C(C)C)COC4=CC=C(C=C4)C(C)(C)C</moldb-smiles> <moldb-formula>C31H36N4O2S</moldb-formula> <moldb-inchi>InChI=1S/C31H36N4O2S/c1-22(2)34(25-12-8-7-9-13-25)29(36)21-38-30-33-32-28(35(30)26-14-10-11-23(3)19-26)20-37-27-17-15-24(16-18-27)31(4,5)6/h7-19,22H,20-21H2,1-6H3</moldb-inchi> <moldb-inchikey>XAAKGFQFESPVGB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">528.2558976</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>7.4</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>CHEM347488</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-butylphenoxy)methyl]-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-n-phenyl-n-propan-2-ylacetamide</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>CED0301895</sync-id> <structure-inchikey>XAAKGFQFESPVGB-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000000400000000000800002002800000000000000000100000000000000000000001080000002210004000000002084800000000000000000000000000000000000000000000000000000000000000022000000000100000200000050000000000000010010000000000000104000000000000100000000000800000004000001004140000000808200004000000000080000000100000000020000000000000000000000001000000000080000000040000004480000080000000400000000000800000000000001000000020000400000010000002000000200000000000000000140000000000040000000000400000000010200004040000000000000</structure-fingerprint> 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