8177964 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 41 42 43 44 45 16 8 8 8 8 7 7 7 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 1 1 1 1 2 3 3 4 4 5 6 6 6 7 7 8 8 8 9 9 9 10 10 10 11 12 12 13 13 15 15 16 17 18 20 20 20 22 22 23 23 24 25 26 27 27 27 28 28 28 18 19 14 24 27 25 28 21 11 14 32 17 19 19 21 36 10 11 12 14 29 30 15 13 31 16 17 16 33 34 18 35 21 22 23 25 37 24 38 26 26 39 40 41 42 43 44 45 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 1 2 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 39 40 41 42 43 44 45 8.2414 14.452 3.3566 2.9945 6.5659 12.8684 8.4106 6.7469 11.9222 12.8684 11.9222 11.0562 10.1901 13.452 11.0562 10.1901 9.3241 9.2196 7.7414 5.1646 6.1591 4.5768 4.7579 3.7634 3.5823 3.1756 2.3621 2 13.4058 12.6174 11.0562 13.061 11.0562 9.6532 9.6803 6.4947 4.829 5.1223 2.559 2.2973 1.7455 2.4269 1.9352 1.3834 2.0648 1.1745 -1.0279 -1.0232 2.422 1.9265 -1.8326 -0.4346 0.204 -0.5279 -0.2232 -1.5279 -0.0279 -0.5279 -1.0279 -2.0279 -1.5279 -0.0279 0.9666 0.3085 0.9085 1.013 1.7175 -0.0051 -0.1096 1.613 0.6994 -1.1277 2.3174 0.086 0.3437 0.5921 -2.422 -2.6479 -1.8379 1.3815 -0.3624 2.2839 -0.5067 0.6346 -0.5111 -1.1925 -1.7443 2.934 2.2526 1.7008 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 9 9 11 12 13 15 17 20 20 22 23 24 25 18 19 17 19 11 12 15 13 16 16 18 22 23 25 24 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 580 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3800400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0C85DE02B3D792C81408AC032572740082F8A9652A39098835366CD88C27B2E4BD9B8431286DD517C8E9A7BEE8DC8E08000308000200001000061000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dimethoxy-N-[4-(2-oxoindolin-5-yl)thiazol-2-yl]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dimethoxy-N-[4-(2-oxo-1,3-dihydroindol-5-yl)-2-thiazolyl]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dimethoxy-<I>N</I>-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dimethoxy-N-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3,5-dimethoxy-N-[4-(2-oxidanylidene-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(2-ketoindolin-5-yl)thiazol-2-yl]-3,5-dimethoxy-benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17N3O4S/c1-26-14-6-13(7-15(9-14)27-2)19(25)23-20-22-17(10-28-20)11-3-4-16-12(5-11)8-18(24)21-16/h3-7,9-10H,8H2,1-2H3,(H,21,24)(H,22,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 TYRCXPZYPIJSAD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.09397721 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17N3O4S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC(=O)C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC(=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)NC(=O)C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 118 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.09397721 28 0 0 0 0 0 0 0 1 -1