23287637 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 16 8 8 7 7 7 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 2 2 3 4 4 4 5 5 6 6 7 7 9 9 10 10 11 11 11 12 12 12 14 14 15 15 18 18 19 19 20 21 21 21 8 13 16 21 17 7 8 12 8 17 13 20 9 10 14 22 15 23 13 17 18 24 25 26 16 27 16 28 19 29 20 30 31 32 33 34 1 1 1 1 2 1 1 1 2 1 1 2 2 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 2 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 4.666 9.8622 4.666 6.3981 5.5321 2.9061 7.2641 5.5321 8.1301 7.2641 3.8 6.3981 3.8 8.9962 8.1301 8.9962 4.666 2.9061 2 2 10.7282 8.1301 6.7272 5.7781 6.3981 7.0181 9.5331 8.1301 2.9132 1.4643 1.4643 10.4182 11.2651 11.0382 -1 1 2 -1 0.5 -1.0347 -0.5 -0.5 -1 0.5 0.5 -2 -0.5 -0.5 1 0.5 1 1.0347 0.5208 -0.5208 0.5 -1.62 0.81 -2 -2.62 -2 -0.81 1.62 1.6546 0.8329 -0.8329 -0.0369 0.19 1.0369 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 5 5 6 6 7 7 9 10 11 11 11 14 15 18 19 8 13 8 17 13 20 9 10 14 15 13 17 18 16 16 19 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 421 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07330004000000000000000000000000000000000003C408000000000000081C000001E04000000000C0CC1DA063FC793081408A8023577740082D821752A3009D8313E6CD80C26FAE4FD9B8431A864C011C8E9C7B841000C00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxy-N-methyl-anilino)pyrido[3,2-e][1,3]thiazin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxy-N-methylanilino)-4-pyrido[3,2-e][1,3]thiazinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxy-<I>N</I>-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxy-N-methylanilino)pyrido[3,2-e][1,3]thiazin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-[(4-methoxyphenyl)-methyl-amino]pyrido[3,2-e][1,3]thiazin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-(4-methoxy-N-methyl-anilino)pyrido[3,2-e][1,3]thiazin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H13N3O2S/c1-18(10-5-7-11(20-2)8-6-10)15-17-13(19)12-4-3-9-16-14(12)21-15/h3-9H,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NDGNMOHOJLWFOD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 299.07284784 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H13N3O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 299.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1=CC=C(C=C1)OC)C2=NC(=O)C3=C(S2)N=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(C1=CC=C(C=C1)OC)C2=NC(=O)C3=C(S2)N=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 80.1 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 299.07284784 21 0 0 0 0 0 0 0 1 -1