56444531 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 46 47 48 49 50 16 9 9 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 5 6 6 7 7 7 8 8 8 9 9 10 10 10 10 11 11 12 12 13 14 14 15 15 16 17 17 18 19 19 19 21 21 21 23 23 24 24 25 26 27 27 28 28 29 29 30 31 22 25 31 31 16 20 26 31 11 13 16 20 22 44 22 23 11 12 32 33 34 35 13 14 15 17 36 18 37 19 18 20 38 21 39 40 41 42 43 24 25 26 27 45 28 29 46 30 47 30 48 49 50 1 1 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 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 46 47 48 49 50 3.9771 6.5659 5.1646 9.8098 6.6227 4.9836 10.167 5.7567 4.7861 10.167 10.7506 9.2208 9.2208 8.3548 8.3548 10.4777 7.4888 7.4888 11.4562 6.6227 11.7668 4.8907 3.808 3.4013 3.308 3.989 2.4067 3.5823 2 2.5878 5.5714 10.7044 9.916 11.2115 11.2115 8.3548 8.3548 6.9518 12.07 11.4768 11.1775 11.9595 12.3562 5.7567 2.6914 2.0423 3.9467 1.3834 2.3356 5.8235 -0.7223 3.2094 4.2275 -3.8151 0.6845 2.505 -2.1202 -0.8155 0.679 -0.5108 -1.3155 -0.8155 -1.8155 -0.3155 -2.3155 -3.0708 -0.8155 -1.8155 -3.277 -0.3155 -4.2275 -0.3155 0.8869 1.8005 0.0209 2.6095 1.905 3.523 2.8185 3.6276 3.314 -0.2016 0.0561 -1.7302 -0.9008 0.3045 -2.9355 -2.1255 -3.1896 -2.6573 -4.4201 -4.8168 -4.0349 -1.4355 -0.0439 1.4034 4.0246 2.8833 4.194 2.7476 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 9 9 12 12 13 14 15 17 23 24 24 26 27 28 29 22 25 22 23 13 14 15 17 18 18 25 26 27 28 29 30 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 656 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B3180400000000000000000000000000162C0000030600000000000005801D000001F04100000000C0CC5DE16B3D793C81408AC032572740082F8A9652A390988353E6CD88C26B2E4BD9B8431286EC713C8E9A798C9E09E08000200000A00001000040000140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-1-propanoyl-indoline-5-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-2-thiazolyl]-1-(1-oxopropyl)-2,3-dihydroindole-5-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-[bis(fluoranyl)methoxy]phenyl]-1,3-thiazol-2-yl]-1-propanoyl-2,3-dihydroindole-5-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-[2-(difluoromethoxy)phenyl]thiazol-2-yl]-1-propionyl-indoline-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H19F2N3O3S/c1-2-19(28)27-10-9-13-11-14(7-8-17(13)27)20(29)26-22-25-16(12-31-22)15-5-3-4-6-18(15)30-21(23)24/h3-8,11-12,21H,2,9-10H2,1H3,(H,25,26,29) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 HMFUCFFBFQFOMH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 443.11151897 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H19F2N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 443.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCC(=O)N1CCC2=C1C=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=CC=C4OC(F)F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 99.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 443.11151897 31 0 0 0 0 0 0 0 1 -1