49778664 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 8 8 8 7 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 1 1 1 2 3 3 4 4 4 5 5 5 6 7 7 7 8 8 9 10 10 11 11 12 12 13 14 14 15 17 18 19 19 19 20 20 21 21 21 22 22 22 9 13 16 20 22 6 17 21 16 19 31 18 8 9 12 11 13 10 14 16 17 18 15 23 24 15 25 26 27 28 20 29 30 32 33 34 35 36 37 38 39 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 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 39 6.4103 5.4641 2.866 7.6743 3.732 6.7238 5.4641 6.4103 5.4641 4.5981 6.721 4.5981 6.9939 3.732 3.732 4.5981 7.6726 6.1346 3.732 2.866 8.4843 2 4.5981 7.6139 3.1951 3.1951 8.1735 5.5146 3.9441 4.3426 3.1951 2.654 2.2554 8.8479 8.9866 8.1208 1.69 1.4631 2.31 0.1208 -1.5745 -4.0745 3.9881 -1.5745 4.2988 1.4255 1.7302 0.4255 -0.0745 2.6808 1.9255 0.9255 0.4255 1.4255 -1.0745 2.9881 3.4908 -2.5745 -3.0745 4.5745 -4.5745 2.5455 0.9255 0.1155 1.7355 2.6228 3.4919 -3.1571 -2.4668 -1.2645 -2.4919 -3.1822 4.0723 4.9381 5.0767 -4.0376 -4.8845 -5.1114 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 6 7 7 7 8 9 10 11 11 12 14 9 13 6 17 18 8 9 12 13 10 14 17 18 15 15 0 Compound Canonicalized 5 2010.09.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 393 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B300000000000000000000000000000016240000030000000000000004801FC00001E00180000000C04E19A063E86D2C80440AA02B977D400920C0035A00018D8A12C4CD80E26BECCF55B87BD68E6FE11D8E987BCD9F28E80000200000800000000040000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyethyl)-3-(1-methyl-4-pyrazolyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-methoxyethyl)-3-(1-methylpyrazol-4-yl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H17N3O3/c1-19-9-11(8-18-19)14-10-22-15-12(14)4-3-5-13(15)16(20)17-6-7-21-2/h3-5,8-10H,6-7H2,1-2H3,(H,17,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 BALCGPPJBBVKJP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.12699141 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H17N3O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NCCOC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CN1C=C(C=N1)C2=COC3=C2C=CC=C3C(=O)NCCOC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 69.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.12699141 22 0 0 0 0 0 0 0 1 -1