40622242 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 16 8 8 8 7 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 2 2 3 3 4 5 5 6 6 7 7 7 8 8 9 9 10 11 11 12 13 13 13 14 15 15 16 17 18 20 20 20 21 21 23 23 24 24 25 25 26 26 27 28 20 22 17 27 18 28 19 9 11 10 12 19 22 36 21 22 10 14 15 12 17 18 14 16 19 29 16 30 31 23 24 21 32 33 34 35 25 37 26 38 27 39 28 40 41 42 1 1 1 1 1 1 2 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 2 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 42 3.4807 11.4891 10.6801 5.3173 8.8435 8.8435 4.4455 2.6663 7.9775 7.9775 9.7096 9.7096 6.1775 7.0836 7.0836 6.1775 10.5756 10.5756 5.3134 2.5033 2 3.5814 10.6801 11.4891 11.6583 12.1583 12.1583 11.6583 7.0907 7.0907 5.6418 1.9379 2.6972 1.5834 1.4998 4.4431 10.2194 11.618 11.9104 12.7749 12.7749 11.9104 -2.0082 -0.5758 2.012 -2.0066 -0.9825 1.0175 -0.51 -0.6101 -0.4825 0.5175 -0.4825 0.5175 -0.5033 -1.0172 1.0522 0.5383 -0.9825 1.0175 -1.0066 -2.2199 -1.3558 -1.0133 -1.977 0.6108 -2.1849 1.3539 -1.3189 2.2199 -1.6371 1.6721 0.8504 -2.4743 -2.8088 -0.8967 -1.7222 0.11 -2.3919 0.0043 -2.7513 1.2891 -1.2541 2.7863 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 6 9 9 10 11 13 13 15 17 18 23 24 25 26 17 27 18 28 9 11 10 12 10 14 15 12 14 16 16 23 24 25 26 27 28 0 Compound Canonicalized 5 2015.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 618 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB0004000000000000000000000000001224400003C4000000000000000B1FE00001E04100000000C0CE5DE06B1C4B2C81448A803AD72F404829825673230099821B67CD80E66FAC4BDBB9739A8E6C011D8E9C7DFD9A39E08000040000000201000008000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5-dihydrothiazol-2-yl)-2,3-bis(2-furyl)quinoxaline-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5-dihydrothiazol-2-yl)-2,3-bis(2-furanyl)-6-quinoxalinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-bis(furan-2-yl)quinoxaline-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2,3-bis(2-furyl)-N-(2-thiazolin-2-yl)quinoxaline-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H14N4O3S/c25-19(24-20-21-7-10-28-20)12-5-6-13-14(11-12)23-18(16-4-2-9-27-16)17(22-13)15-3-1-8-26-15/h1-6,8-9,11H,7,10H2,(H,21,24,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 ZNVAQPNYWXYCAJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.07866149 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H14N4O3S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CSC(=N1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CSC(=N1)NC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CO4)C5=CC=CO5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 119 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.07866149 28 0 0 0 0 0 0 0 1 -1