53383337 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 8 8 8 8 7 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 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 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 11 12 12 13 13 13 14 14 14 15 15 15 16 17 17 18 19 19 20 21 22 22 23 23 24 24 25 25 26 27 27 28 29 29 30 31 31 32 32 33 11 20 10 16 26 33 8 12 16 9 10 35 18 21 10 11 34 13 14 15 17 18 22 36 37 38 39 40 41 42 43 44 21 19 45 23 20 24 25 26 27 46 28 47 29 48 30 49 31 28 50 51 30 52 53 32 54 33 55 56 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 1 8 5 10 11 34 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 43 44 45 46 47 48 49 50 51 52 53 54 55 56 6.4398 2.934 6.3981 6.5026 4.666 3.8 4.666 4.666 2.934 3.8 5.5321 3.8 2.068 3.434 2.434 5.5321 5.6351 3.8 6.6069 7.1069 5.5321 2.9061 2.9061 7.1069 8.1069 6.3981 2 2 8.1069 8.6069 7.3116 7.9808 7.4808 4.1291 4.3369 1.758 1.531 2.378 2.897 3.744 3.9709 2.9709 2.124 1.897 5.1736 2.9132 2.9132 6.7969 8.4169 1.4643 1.4643 8.4169 9.2269 7.4405 8.5974 7.7329 -0.7631 -0.6682 0.3318 3.3263 0.3318 -2.1682 2.3318 -0.6682 -2.6682 -1.1682 -1.1682 0.8318 -3.1682 -3.5342 -1.8022 0.8318 -2.1569 1.8318 -2.3661 -1.5001 1.8318 0.2971 2.3665 -3.2322 -1.5001 2.3318 0.811 1.8526 -3.2322 -2.3661 1.9251 2.6682 3.5342 -0.3582 -2.4782 -2.6313 -3.4782 -3.7051 -3.8442 -4.0712 -3.2242 -1.4922 -1.2652 -2.1122 -2.571 -0.3228 2.9864 -3.7691 -0.9632 0.4989 2.1647 -3.7691 -2.3661 1.3186 2.6034 4.1006 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 4 4 5 5 7 7 8 11 12 12 16 17 18 19 19 20 22 23 24 25 26 27 29 31 32 11 20 26 33 12 16 18 21 10 17 18 22 21 19 23 20 24 25 27 28 29 30 31 28 30 32 33 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 791 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 00000371E07B380000000000000000000000000000012240000030608000000000004881FC00001E00100000000CACE1980632C6C3C00440A803AD72D404820800252200088801AE7CD80E66BECCB5BB973928E6F611D8E98798D9A39E00000000000800200000000000100040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(benzofuran-2-yl)-N-tert-butyl-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-benzofuranyl)-N-tert-butyl-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-benzofuran-2-yl)-<I>N</I>-<I>tert</I>-butyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(benzofuran-2-yl)-N-tert-butyl-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C26H23N3O4/c1-26(2,3)28-24(30)23(21-15-16-9-4-7-12-19(16)33-21)29-18-11-6-5-10-17(18)27-22(25(29)31)20-13-8-14-32-20/h4-15,23H,1-3H3,(H,28,30) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZERBMZGAPGHQGE-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 2021.05.07 441.16885622 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C26H23N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 441.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC2=CC=CC=C2O1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC(C)(C)NC(=O)C(C1=CC2=CC=CC=C2O1)N3C4=CC=CC=C4N=C(C3=O)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 88 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 441.16885622 33 1 0 1 0 0 0 0 1 -1