346461 <common-name>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3,4-dihydroxyphenyl)methylideneamino]acetamide</common-name> <description>2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3,4-dihydroxyphenyl)methylideneamino]acetamide is a chemical compound with the formula C27H27N5O3S. With an average molecular weight of 501.60 g/mol, 2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3,4-dihydroxyphenyl)methylideneamino]acetamide is a heavy molecule.</description> <cas>303105-56-8</cas> <pubchem-id>135544914</pubchem-id> <chemical-formula>C27H27N5O3S</chemical-formula> <weight>501.6</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">2026-08-31T09:54:55Z</created-at> <updated-at type="dateTime">2026-08-31T09:54:55Z</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>CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NN=CC4=CC(=C(C=C4)O)O</moldb-smiles> <moldb-formula>C27H27N5O3S</moldb-formula> <moldb-inchi>InChI=1S/C27H27N5O3S/c1-27(2,3)20-12-10-19(11-13-20)25-30-31-26(32(25)21-7-5-4-6-8-21)36-17-24(35)29-28-16-18-9-14-22(33)23(34)15-18/h4-16,33-34H,17H2,1-3H3,(H,29,35)/b28-16+</moldb-inchi> <moldb-inchikey>MOTXGLCPYVFARE-LQKURTRISA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">501.1834609</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.5</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>CHEM342354</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-phenyl-1,2,4-triazol-3-yl]sulfanyl]-n-[(e)-(3,4-dihydroxyphenyl)methylideneamino]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 nil="true"/> <superklass nil="true"/> <klass nil="true"/> <subklass nil="true"/> <paper-count type="integer" nil="true"/> <sync-id>CED0296814</sync-id> <structure-inchikey>MOTXGLCPYVFARE-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40404000200000800000002800000000000000000000000000000000000000000000000412000004008000002084800000000000000000000000200000000000000000000000040000000000000020000000000200000004000010000000000000010000000000000080100000800000080100000000000000000000000000004040000000800000000000000090880000010100000000000000000000000000000000001000000000080000000040000000400000100000002c00000000000800004000002100000000000000400000000000002001000200000000000000000040000000001048000000000400000000010000000040000000004000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAkAAAAJwAAAIABBgBgAAAAAQMGACAAAAAE BgBgAAAAAQMGAGAAAAABAwZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAo AAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAdAKAAAAAMDB0AoAAAA AwMGQCgAAAADBAdAKAAAAAMDBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEG QGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEQACAAAAACBgBgAAAAAgIGACgA AAADBAgAKAAAAAMCBwBoAAAAAwIBBwAoAAAAAwMGAGgAAAADAwEGQCgAAAAD BAZAaAAAAAMDAQZAKAAAAAMEBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEI AGgAAAADAQEIAGgAAAADAQELAAEAAQIAAQMAAQQABAVoDAUGaAwGB2gMBwho DAgJaAwHCiAKC2gMCwxoDAwNaAwNDmgMDg8gDxBoDBARaAwREmgMEhNoDBMU aAwNFQAVFgAWFwAXGCgCFxkgGRogGhsoAhscIBwdaAwdHmgMHh9oDB8gaAwg IWgMHyIgHiMgCQRoDA4KaAwUD2gMIRxoDEIEAAAABgQJCAcGBQULCg4NDAYQ ERITFA8GHR4fICEcFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:45:12Z</structure-indexed-at> </compound>