54734370 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 16 8 8 8 8 8 7 7 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 1 2 2 3 3 4 5 6 6 7 7 7 8 8 8 9 9 10 10 10 11 15 15 16 16 17 18 19 19 20 20 21 22 23 23 23 24 24 24 11 18 12 32 17 23 13 14 21 24 9 13 25 14 15 27 11 16 12 13 14 12 17 19 18 26 20 28 22 29 21 30 22 31 33 34 35 36 37 38 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 2 1 2 1 1 1 1 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 9.8744 8.0622 3.732 6.3301 6.3301 2 8.0622 5.4641 8.9282 7.1962 8.9282 8.0622 7.1962 6.3301 4.5981 9.8744 3.732 10.458 4.5981 2.866 2.866 3.732 2.866 2 8.0622 10.067 5.4641 11.078 5.135 2.3291 3.732 8.5991 2.556 2.3291 3.176 2.62 2 1.38 -0.1353 1.06 -1.44 -1.94 1.06 1.56 -1.94 -0.44 -1.44 -0.44 -0.44 0.06 -1.44 0.06 0.06 -1.7447 -0.44 -0.94 1.06 0.06 1.06 1.56 -1.94 2.56 -2.56 -2.334 -1.06 -0.94 1.37 -0.25 2.18 1.37 -1.4031 -2.25 -2.4769 2.56 3.18 2.56 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 9 9 10 10 11 15 15 16 17 19 20 21 11 18 9 13 11 16 12 13 12 17 19 18 20 22 21 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 553 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B380040000000000000000000000000012000000030400000000000004001C000001E04100800000C0C85D002B2C782C006088C0225525000830880212A1048881D076CC80E272AECF19B85702C67D415F8F907B0600C0000400008000010000080001000002000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4<I>H</I>-thieno[3,2-b]pyridine-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-7-oxidanyl-5-oxidanylidene-4H-thieno[3,2-b]pyridine-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2,4-dimethoxyphenyl)-7-hydroxy-5-keto-4H-thieno[3,2-b]pyridine-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H14N2O5S/c1-22-8-3-4-9(11(7-8)23-2)17-15(20)12-13(19)14-10(5-6-24-14)18-16(12)21/h3-7H,1-2H3,(H,17,20)(H2,18,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 NFDQOYXSOQDEAZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.06234272 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H14N2O5S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(C=CS3)NC2=O)O)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=C(C=C1)NC(=O)C2=C(C3=C(C=CS3)NC2=O)O)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 125 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.06234272 24 0 0 0 0 0 0 0 1 -1