49795434 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 16 8 8 8 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 2 3 3 4 4 5 5 6 6 6 7 7 9 9 9 10 10 11 11 12 12 13 14 15 15 15 16 17 18 19 19 20 21 21 22 22 23 23 24 25 25 25 8 14 6 32 13 18 17 25 8 10 7 8 9 11 12 26 27 28 13 14 17 29 19 30 16 31 16 18 21 33 20 22 20 34 35 23 36 24 37 24 38 39 40 41 42 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 6 2 7 8 9 3 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 7.8007 9.1975 4.6783 10.0187 6.8497 8.6097 9.4188 7.8007 8.022 6.2619 9.3142 10.3323 5.2619 6.8497 3.732 4.6783 10.1232 3.732 11.1413 11.0368 2.866 2.866 2 2 10.8277 7.5204 7.6575 8.5235 8.7478 10.3971 6.6581 8.9454 4.8709 11.7077 11.5384 2.866 2.866 1.4631 1.4631 10.4633 11.3293 11.1922 2.4201 1.6413 1.1154 -2.3323 1.1111 0.8323 0.2445 1.4201 0.0233 1.9201 -0.75 0.6513 1.9201 2.7291 2.4201 2.7248 -1.3378 1.4201 0.0635 -0.931 2.9201 0.9201 2.4201 1.4201 -2.9201 0.3877 -0.4783 -0.3411 -1.0022 1.2679 3.3188 2.2077 3.3142 0.3156 -1.2955 3.5401 0.3001 2.7301 1.1101 -3.4217 -3.2845 -2.4185 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 3 5 5 6 7 7 10 11 12 13 15 15 15 17 18 19 21 22 23 8 14 13 18 8 10 2 11 12 14 17 19 16 16 18 21 20 22 20 23 24 24 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 464 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A300040000000000000000000000000016240000030600000000000004801FC00001E04000800000C4C85DE02B287D2081648AC03A472440482F8A0672A38088835B62CD80E26B2A4B53B877928E4C011B8B987D8D9F39E80000100000800000000020000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(benzofuran-2-yl)thiazol-2-yl]-1-(3-methoxyphenyl)ethanol IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(2-benzofuranyl)-2-thiazolyl]-1-(3-methoxyphenyl)ethanol IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]-1-(3-methoxyphenyl)ethanol IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-[4-(benzofuran-2-yl)thiazol-2-yl]-1-(3-methoxyphenyl)ethanol InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H17NO3S/c1-20(22,14-7-5-8-15(11-14)23-2)19-21-16(12-25-19)18-10-13-6-3-4-9-17(13)24-18/h3-12,22H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 RGEXIMVHKWCYQK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.09291458 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H17NO3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC(=CC=C1)OC)(C2=NC(=CS2)C3=CC4=CC=CC=C4O3)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C1=CC(=CC=C1)OC)(C2=NC(=CS2)C3=CC4=CC=CC=C4O3)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 83.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 351.09291458 25 1 0 1 0 0 0 0 1 -1