54679803 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 17 16 8 8 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 5 5 5 6 6 7 7 7 9 9 10 10 12 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 23 23 24 24 25 26 22 13 25 11 39 8 6 8 9 10 13 8 11 12 14 15 11 27 16 17 18 19 28 20 29 23 30 24 31 21 32 22 33 22 34 25 35 26 36 26 37 38 40 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 5.3147 3.4782 5.3147 7.0468 5.3147 4.4487 6.1808 6.1808 5.3147 4.4487 5.3147 7.0468 3.5827 4.4487 6.1808 7.9128 7.0468 2.6691 4.4487 6.1808 2 5.3147 8.7788 7.9128 2.5 8.7788 3.9118 3.9118 6.7177 7.9128 6.5098 2.5402 3.9118 6.7177 1.3834 9.3158 7.9128 2.2478 4.7778 9.3158 -3.75 -0.7445 3.25 0.25 0.25 0.75 1.75 0.75 -0.75 1.75 2.25 2.25 0.25 -1.25 -1.25 1.75 3.25 0.6567 -2.25 -2.25 -0.0864 -2.75 2.25 3.75 -0.9524 3.25 2.06 -0.94 -0.94 1.13 3.56 1.2632 -2.56 -2.56 -0.0216 1.94 4.37 -1.5188 3.56 3.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 7 7 9 9 10 12 12 13 14 15 16 17 18 19 20 21 23 24 13 25 6 8 10 8 11 14 15 11 16 17 18 19 20 23 24 21 22 22 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 603 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A300044000000000000000000000000012000000030608000000000000001D000001E06000800000C0E85D820B0C1830002088C0225525000830080212F104888190066C8082432E19791843008608400E8D9071888808E00004000000000000000800000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-(2-thienyl)pyridin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-thiophen-2-yl-2-pyridinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-thiophen-2-ylpyridin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-thiophen-2-ylpyridin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-oxidanyl-3-phenyl-6-thiophen-2-yl-pyridin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(4-chlorophenyl)-4-hydroxy-3-phenyl-6-(2-thienyl)-2-pyridone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H14ClNO2S/c22-15-8-10-16(11-9-15)23-17(19-7-4-12-26-19)13-18(24)20(21(23)25)14-5-2-1-3-6-14/h1-13,24H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PFNIITZIBTWEOZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.0433776 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H14ClNO2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C=C(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CS4)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=C(C=C(N(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CS4)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 379.0433776 26 0 0 0 0 0 0 0 1 3