49792762 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 8 8 8 8 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 2 2 3 4 4 5 5 5 6 6 7 7 7 8 8 9 9 10 11 11 12 12 13 14 14 15 15 16 16 17 18 18 19 19 19 20 20 23 23 24 24 25 26 26 26 27 27 29 29 29 10 13 21 26 22 28 29 22 23 40 25 28 8 9 13 10 14 12 15 11 16 22 18 19 30 17 31 20 32 17 33 34 21 35 36 37 38 21 39 24 25 27 41 42 43 44 45 28 46 47 48 49 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 2 2 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 40 41 42 43 44 45 46 47 48 49 5.5443 6.787 4.5981 2.866 2.866 2 5.5443 4.5981 5.855 4.5981 3.732 6.8335 6.1279 3.732 5.1871 2.866 2.866 7.1441 7.5013 5.4978 6.4763 3.732 2.866 3.732 2 7.7654 3.732 2.866 2 6.7479 3.732 4.5804 2.3291 2.3291 7.7508 7.0398 7.9154 7.9628 5.0837 2.3291 4.269 1.4631 7.8933 8.3721 7.6376 4.269 1.69 1.4631 2.31 0.2888 5.7003 -1.4065 -5.4065 -1.4065 -3.9065 1.8982 1.5935 2.8487 0.5935 0.0935 3.055 1.0935 2.0935 3.593 0.5935 1.5935 4.0055 2.3106 4.5436 4.7498 -0.9065 -2.4065 -2.9065 -2.9065 5.9065 -3.9065 -4.4065 -5.9065 1.0935 2.7135 3.4652 0.2835 1.9035 4.1333 1.8966 1.8492 2.7247 5.005 -1.0965 -2.5965 -2.5965 5.2998 6.0344 6.5132 -4.2165 -5.3696 -6.2165 -6.4434 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 6 6 7 7 8 8 9 9 10 11 12 14 15 16 18 20 23 23 24 27 10 13 25 28 8 13 10 14 12 15 11 16 18 17 20 17 21 21 24 25 27 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 559 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B38000000000000000000000000000001200000003C608000000000004801FC00001E00100000000C0CE19A063EC6D2C81440A802BD77D40082882035322008D8213E7CD80C66FECCB59B963968E6F411C8E987B8D8F08EA0000300001800004000060000300000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methyl-phenyl)-N-(6-methoxy-3-pyridyl)benzofuran-7-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methylphenyl)-N-(6-methoxy-3-pyridinyl)-7-benzofurancarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methylphenyl)-<I>N</I>-(6-methoxypyridin-3-yl)-1-benzofuran-7-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methylphenyl)-N-(6-methoxypyridin-3-yl)-1-benzofuran-7-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methyl-phenyl)-N-(6-methoxypyridin-3-yl)-1-benzofuran-7-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(4-methoxy-2-methyl-phenyl)-N-(6-methoxy-3-pyridyl)benzofuran-7-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H20N2O4/c1-14-11-16(27-2)8-9-17(14)20-13-29-22-18(20)5-4-6-19(22)23(26)25-15-7-10-21(28-3)24-12-15/h4-13H,1-3H3,(H,25,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 PZVJWRHOVXAELJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.14230712 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H20N2O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)OC)C2=COC3=C2C=CC=C3C(=O)NC4=CN=C(C=C4)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=CC(=C1)OC)C2=COC3=C2C=CC=C3C(=O)NC4=CN=C(C=C4)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 73.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 388.14230712 29 0 0 0 0 0 0 0 1 -1