67207036 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 16 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 6 6 6 7 7 8 9 9 9 10 11 11 12 12 13 14 14 14 17 17 18 19 19 20 20 21 21 22 22 23 23 24 24 25 26 18 26 15 16 7 16 30 8 12 14 15 33 8 11 10 10 13 15 27 13 28 16 18 29 17 31 32 19 20 21 22 34 23 35 24 36 25 37 25 38 26 39 40 41 1 1 2 2 1 1 1 1 2 1 1 1 2 1 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 2 1 1 1 2 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 11.7026 6.3397 11.5981 9.866 9.866 5.4679 9 9 7.2 8.106 8.106 10.732 7.2 4.6038 6.3359 10.732 3.7359 11.5981 2.8718 3.732 12.5116 2.0038 2.8641 13.1807 2 12.6807 8.1132 8.1132 6.6642 9.866 5.0042 4.2071 5.4655 2.8742 4.2678 12.6405 1.4681 2.8617 13.7973 1.4619 12.9329 1.7033 1.7329 -1.2912 -1.2912 0.7088 0.2363 -0.7912 0.2088 0.2296 0.7434 -1.3259 0.2088 -0.812 0.7396 0.7329 -0.7912 0.243 0.7088 0.7463 -0.757 0.302 0.2496 -1.2537 1.0452 -0.7504 1.9112 1.3634 -1.9458 -1.1241 -1.9112 1.213 1.2161 -0.3837 1.3663 -1.0691 -0.3044 0.5617 -1.8737 0.9804 -1.0583 2.4776 8 8 8 8 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 9 9 11 12 17 17 18 19 20 21 22 23 24 18 26 7 16 8 12 8 11 10 10 13 13 16 19 20 21 22 23 24 25 25 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 573 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B300040000000000000000000000000012000000030608000000000000081D000001E04100000000C08C5D804B0C182C00008AC0325725400830080250A104888992874D80860B2E09591942108609600E8C9871C89009E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-2-oxo-3-(2-thienyl)-1H-quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxo-N-(phenylmethyl)-3-thiophen-2-yl-1H-quinoxaline-6-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-benzyl-2-oxo-3-thiophen-2-yl-1<I>H</I>-quinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-2-oxo-3-thiophen-2-yl-1H-quinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-oxidanylidene-N-(phenylmethyl)-3-thiophen-2-yl-1H-quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-benzyl-2-keto-3-(2-thienyl)-1H-quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H15N3O2S/c24-19(21-12-13-5-2-1-3-6-13)14-8-9-15-16(11-14)22-18(20(25)23-15)17-7-4-10-26-17/h1-11H,12H2,(H,21,24)(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WPGWLFQHFKAKLZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.08849790 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H15N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC(=O)C(=N3)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C2)NC(=O)C(=N3)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 98.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.08849790 26 0 0 0 0 0 0 0 1 -1