55895228 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 51 52 53 16 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 5 6 6 6 7 7 8 8 8 8 9 9 10 10 11 12 12 13 13 14 15 15 16 17 17 17 19 19 19 21 21 22 22 23 24 25 25 26 26 27 27 28 29 29 29 30 30 30 20 24 14 18 23 29 9 11 14 18 20 43 20 21 9 10 31 32 33 34 11 12 13 15 35 16 36 17 16 18 37 19 38 39 40 41 42 22 24 23 25 26 44 27 45 28 46 28 47 48 30 49 50 51 52 53 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 2 1 1 1 1 1 2 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 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 3.9771 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 3.989 3.308 2.4067 3.5823 2 2.5878 5.5714 6.5659 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 5.7422 5.0141 6.5011 7.1825 6.6307 -0.4223 -3.5151 0.9845 2.8049 -1.8203 -0.5155 0.979 -0.2108 -1.0155 -0.5155 -1.5155 -0.0155 -2.0155 -2.7708 -0.5155 -1.5155 -2.977 -0.0155 -3.9275 -0.0155 1.1869 2.1004 2.9095 0.3209 2.205 3.823 3.1185 3.9275 3.614 3.5094 0.0984 0.3561 -1.4303 -0.6008 0.6045 -2.6355 -1.8255 -2.8897 -2.3574 -4.1201 -4.5168 -3.7349 -1.1355 0.2561 1.7034 4.3246 3.1833 4.4939 4.2099 3.8857 2.8928 3.4446 4.126 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 10 10 11 12 13 15 21 22 22 23 25 26 27 20 24 20 21 11 12 13 15 16 16 24 23 25 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 619 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 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 00000371E07B3000400000000000000000000000000162C0000030600000000000005801D000001E04100000000C0CE5DE06B3D793C81408AC032572740082F8A9652A390988353E6CD88C26B2E4BD9B863928EEC713C8E9A798C9E09E08000200000A00001000040000140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-(2-ethoxyphenyl)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-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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-o-phenetylthiazol-2-yl)-1-propionyl-indoline-5-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H23N3O3S/c1-3-21(27)26-12-11-15-13-16(9-10-19(15)26)22(28)25-23-24-18(14-30-23)17-7-5-6-8-20(17)29-4-2/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,24,25,28) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GSWQPYKITAWLAC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.14601278 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H23N3O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.5 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=C4OCC 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=C4OCC 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 2021.05.07 421.14601278 30 0 0 0 0 0 0 0 1 -1