1206154 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 8 8 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 2 3 3 4 4 5 6 6 7 7 7 8 8 9 9 11 12 14 14 15 15 16 16 17 18 18 19 19 21 21 22 22 23 23 24 25 25 25 26 26 26 10 11 12 13 17 25 20 26 13 10 12 8 9 11 10 13 15 16 27 14 17 21 18 28 19 29 22 20 30 20 31 23 32 24 33 24 34 35 36 37 38 39 40 41 1 1 1 1 1 1 1 1 2 1 2 1 1 2 2 1 2 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 2 1 1 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 41 7.2764 4.5981 2.866 8.519 5.4641 5.4641 7.2764 6.3301 7.587 6.3301 7.86 4.5981 5.4641 3.732 8.5655 6.9192 2.866 8.8762 7.2298 8.2083 3.732 2 2.866 2 2 9.4975 8.48 8.9796 6.3125 9.4828 6.8158 4.269 1.4631 2.866 1.4631 2.31 1.4631 1.69 9.6254 10.1042 9.3696 -1.9612 -0.6565 -0.6565 3.4503 0.8435 -2.1565 -0.3518 -0.6565 0.5987 -1.6565 -1.1565 -1.6565 -0.1565 -2.1565 0.805 1.343 -1.6565 1.7555 2.2936 2.4998 -3.1565 -2.1565 -3.6565 -3.1565 -0.1565 3.6565 -1.1565 0.3435 1.2152 1.8833 2.755 -3.4665 -1.8465 -4.2765 -3.4665 0.3804 0.1535 -0.6935 3.0498 3.7844 4.2632 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 2 2 6 6 7 7 8 8 9 9 14 14 15 16 17 18 19 21 22 23 10 11 12 13 10 12 8 11 10 13 15 16 17 21 18 19 22 20 20 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 546 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07A380040000000000000000000000000012000000030608000000000004001D000001E04000000000C0485D802B28F82000408AC0220F24C00830880642810088811264CD80C27BAA4B59B8231A067C01128E94798C8F08EA0000000000800004000000000100000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-methoxyphenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-methoxyphenyl)-5-(4-methoxyphenyl)-4-thieno[2,3-d][1,3]oxazinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-methoxyphenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-methoxyphenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-methoxyphenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(2-methoxyphenyl)-5-(4-methoxyphenyl)thieno[2,3-d][1,3]oxazin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H15NO4S/c1-23-13-9-7-12(8-10-13)15-11-26-19-17(15)20(22)25-18(21-19)14-5-3-4-6-16(14)24-2/h3-11H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 JOMVZNNWFRXFAA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 365.07217913 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H15NO4S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 365.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C2=CSC3=C2C(=O)OC(=N3)C4=CC=CC=C4OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 85.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 365.07217913 26 0 0 0 0 0 0 0 1 -1