2297467 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 54 55 56 57 58 59 60 61 62 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 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 1 1 1 2 2 3 4 5 5 5 6 6 6 7 7 7 8 8 9 10 11 11 12 12 13 14 14 15 15 16 16 17 18 18 19 19 19 20 20 21 22 23 23 24 25 25 25 26 26 26 27 27 27 29 29 29 30 31 32 32 33 33 34 34 35 35 36 9 10 31 32 28 30 13 28 44 14 30 45 8 9 12 10 18 11 20 13 37 17 38 17 15 16 21 25 22 26 39 23 40 21 22 29 24 41 42 43 24 46 47 48 49 50 51 52 53 28 31 33 54 55 56 32 34 57 58 35 59 36 60 36 61 62 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 2 1 2 2 1 2 1 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 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 54 55 56 57 58 59 60 61 62 4.5274 10.048 8.3987 9.4373 8.0321 11.0867 5.0274 4.0274 5.3364 3.7183 6.3518 5.7123 7.0547 10.7813 9.804 11.4533 6.7328 3.3424 10.1706 2.7029 9.4986 11.148 2.3219 2 9.132 12.4306 9.6814 8.704 9.8653 10.4147 10.3534 10.72 9.9867 11.3307 10.9641 11.6361 6.5365 5.5139 7.1459 3.5408 2.5182 8.8927 11.5646 8.2214 11.6926 1.9088 1.394 9.5911 8.7154 8.6728 12.5619 13.0366 12.2994 9.2749 9.676 10.4557 11.2686 11.0998 9.5701 11.7473 11.1534 12.242 4.6883 1.554 2.0829 -0.3504 3.7757 -0.8793 3.1494 3.1494 4.1005 4.1005 4.3327 2.3647 3.564 -1.8316 -2.0432 -2.5721 2.5734 2.3647 -3.736 4.3327 -2.9955 -3.5244 2.5734 3.564 -1.3027 -2.3604 3.2468 3.0352 -4.6883 -0.1388 2.5063 0.8135 4.1991 2.718 4.4108 3.6702 4.9246 1.7773 2.1111 1.7773 4.9246 -3.1267 -3.9835 4.3661 -0.7481 2.1111 3.6953 -0.886 -0.8435 -1.7193 -2.9664 -2.2292 -1.7545 -4.499 -5.2787 -4.8776 0.5245 1.3035 4.6582 2.2588 5.0012 3.8014 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 7 8 8 9 10 11 12 13 14 14 15 16 18 19 19 20 23 27 27 31 33 34 35 9 10 8 9 12 10 18 11 20 13 17 17 15 16 21 22 23 21 22 24 24 31 33 34 35 36 36 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 762 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B38000000000000000000000000000001200000003060C180000000004801FC00001E00100000000C0CA1980232C6C2C004408802A5525002820800252200088801466CC80E263EC4B59F8739E8E6F419D8E9C798D9E39E88000202000A00001000040400140000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-dibenzofuranyl)-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-dibenzofuran-3-yl-2-[2-oxo-2-(2,4,6-trimethylanilino)ethoxy]benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-dibenzofuran-3-yl-2-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethoxy]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-dibenzofuran-3-yl-2-(2-keto-2-mesidino-ethoxy)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C30H26N2O4/c1-18-14-19(2)29(20(3)15-18)32-28(33)17-35-25-10-6-5-9-24(25)30(34)31-21-12-13-23-22-8-4-7-11-26(22)36-27(23)16-21/h4-16H,17H2,1-3H3,(H,31,34)(H,32,33) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FQXWMYILVDZEQV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 478.18925731 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C30H26N2O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 478.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C(=C1)C)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=CC(=C(C(=C1)C)NC(=O)COC2=CC=CC=C2C(=O)NC3=CC4=C(C=C3)C5=CC=CC=C5O4)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 478.18925731 36 0 0 0 0 0 0 0 1 -1