650772 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 8 8 8 8 8 8 8 7 7 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 2 3 3 4 4 5 6 7 8 8 8 9 9 9 10 10 11 13 13 13 14 15 17 18 19 19 20 20 21 21 21 22 22 23 23 24 25 26 26 26 16 21 12 17 24 18 25 14 15 16 10 12 14 11 12 15 11 13 16 27 28 29 17 18 19 20 22 30 23 31 26 32 33 24 34 25 35 36 37 38 39 40 1 1 2 1 1 1 1 2 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 2 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 3.6942 7.9575 5.9003 7.168 8.2797 5.3314 4.2294 6.6974 6.1974 5.6974 5.3884 7.0064 5.1096 7.2852 6.1974 4.4374 6.8785 7.0634 7.3785 7.977 2.7431 6.7093 8.6461 5.7958 8.1461 2 5.6112 4.7452 4.608 7.9951 8.1059 2.2546 3.0342 6.8382 9.2627 5.2589 8.3983 2.4149 1.5392 1.5851 -0.1362 -0.8053 2.3852 -3.5786 1.1593 -2.5841 -1.7834 0.4548 -1.0841 0.4548 -0.4963 -0.4963 1.2638 1.2638 -2.0841 -0.8053 2.1773 -2.5841 3.0434 -2.1773 -0.4452 3.7865 -2.9205 3.3798 -3.7865 0.2239 1.6282 1.7654 0.8994 3.1082 -1.5709 -0.8269 -0.9926 4.393 -2.8557 3.6898 -4.3529 0.6847 0.6388 -0.2368 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 8 8 9 9 10 17 18 19 20 22 23 17 24 18 25 10 12 11 12 11 19 20 22 23 24 25 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 672 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B380000000000000000000000000000012244000000000000000000000001E000001E0000000000080CA19002330C830004408800ADD2D802820800242000088801C60CC88E263284B53F871928ECC53398A9C69817020000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxo-imidazole-4-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-bis[2-furanyl(oxo)methyl]-5-methyl-2-oxo-4-imidazolecarboxylic acid ethyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxoimidazole-4-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 1,3-bis(furan-2-carbonyl)-5-methyl-2-oxoimidazole-4-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 ethyl 1,3-bis(furan-2-ylcarbonyl)-5-methyl-2-oxidanylidene-imidazole-4-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1,3-bis(2-furoyl)-2-keto-5-methyl-4-imidazoline-4-carboxylic acid ethyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H14N2O7/c1-3-24-16(22)13-10(2)18(14(20)11-6-4-8-25-11)17(23)19(13)15(21)12-7-5-9-26-12/h4-9H,3H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HAPFPNSMGAADOQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.08010079 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H14N2O7 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(N(C(=O)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC(=O)C1=C(N(C(=O)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 110 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 358.08010079 26 0 0 0 0 0 0 0 1 -1