346016 <common-name>Ethyl 4-[[3-amino-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate</common-name> <description>Ethyl 4-[[3-amino-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate is a chemical compound with the formula C27H22F3N3O4S. With an average molecular weight of 541.50 g/mol, Ethyl 4-[[3-amino-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate is a heavy molecule.</description> <cas nil="true"/> <pubchem-id>5014036</pubchem-id> <chemical-formula>C27H22F3N3O4S</chemical-formula> <weight>541.5</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">2026-08-31T09:13:25Z</created-at> <updated-at type="dateTime">2026-08-31T09:13:25Z</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>CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C(C=C3C(F)(F)F)C4=CC=C(C=C4)OCC=C)N</moldb-smiles> <moldb-formula>C27H22F3N3O4S</moldb-formula> <moldb-inchi>InChI=1S/C27H22F3N3O4S/c1-3-13-37-18-11-7-15(8-12-18)20-14-19(27(28,29)30)21-22(31)23(38-25(21)33-20)24(34)32-17-9-5-16(6-10-17)26(35)36-4-2/h3,5-12,14H,1,4,13,31H2,2H3,(H,32,34)</moldb-inchi> <moldb-inchikey>WHPKENZJXPELEV-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">541.1283119</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>6.6</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>CHEM341909</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>Ethyl 4-[[3-amino-6-(4-prop-2-enoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]benzoate</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>Anilides</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0296370</sync-id> <structure-inchikey>WHPKENZJXPELEV-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000020020000000500020000001000000000000000002001000120000002000000000000022000000001000000000000010020000010000000000000080000000020000000000200000100003000002000000000100000400000140000000100000001000008000080010080000000008040000000000000000402004000000000000000000808010000000000000000200000000000000000000000000000002000840000000000200000c4000000000000000200010000000000000000000000000040000000000004000002000000200000000000000008000000081000040000008000400800000100010209000000000000000</structure-fingerprint> 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