60579588 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 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 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 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 13 14 14 14 15 15 16 17 17 17 18 18 19 19 20 20 21 22 23 24 24 24 22 24 16 25 7 13 14 15 16 17 21 25 50 8 9 26 10 27 28 11 29 30 12 31 32 12 33 34 35 36 15 37 38 39 40 41 42 43 18 44 45 46 19 20 21 47 23 48 22 23 49 25 51 52 1 1 2 2 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 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 42 43 44 45 46 47 48 49 50 51 52 11.5542 8.0622 13.3244 4.5981 7.1962 11.5542 3.732 3.732 2.866 2.866 2 2 5.4641 4.5981 6.3301 8.0622 7.1962 8.9282 9.7942 8.9282 10.6603 10.6603 9.7942 12.4603 12.4603 3.732 4.3426 3.9441 2.4675 3.2646 3.2646 2.4675 1.3894 1.788 1.788 1.3894 5.8626 5.0656 3.9781 4.5981 5.2181 5.9316 6.7287 7.8162 7.1962 6.5762 9.7942 8.3913 9.7942 11.547 13.0711 12.6693 1.5173 -1.5173 -0.5415 -0.5173 -0.0173 -0.552 -0.0173 0.9827 -0.5173 1.4827 -0.0173 0.9827 -0.0173 -1.5173 -0.5173 -0.5173 0.9827 -0.0173 -0.5173 0.9827 -0.0173 0.9827 1.4827 1.0035 -0.0381 -0.6373 0.875 1.5653 -0.9923 -0.9923 1.9576 1.9576 0.0903 -0.5999 1.5653 0.875 0.4576 0.4576 -1.5173 -2.1373 -1.5173 -0.9923 -0.9923 0.9827 1.6027 0.9827 -1.1373 1.2927 2.1027 -1.172 0.8974 1.5872 8 8 8 8 8 8 18 18 19 20 21 22 19 20 21 23 22 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 481 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30004000000000000000000000000000000000003C6080000000000000B10000001E04100000000C28C5D804B2C183C00008880225525000820000250A1008881D0864C8086032E09591942108609600E8C9871C88008E10000040000001002000008000000200000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-[cyclohexyl(methyl)amino]ethyl]-<I>N</I>-methyl-3-oxo-4<I>H</I>-1,4-benzothiazine-6-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[cyclohexyl(methyl)amino]ethyl]-N-methyl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-[cyclohexyl(methyl)amino]ethyl]-3-keto-N-methyl-4H-1,4-benzothiazine-6-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H27N3O2S/c1-21(15-6-4-3-5-7-15)10-11-22(2)19(24)14-8-9-17-16(12-14)20-18(23)13-25-17/h8-9,12,15H,3-7,10-11,13H2,1-2H3,(H,20,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BZZSHXXKGCVPNZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.18239829 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H27N3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CCN(C)C(=O)C1=CC2=C(C=C1)SCC(=O)N2)C3CCCCC3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(CCN(C)C(=O)C1=CC2=C(C=C1)SCC(=O)N2)C3CCCCC3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.18239829 25 0 0 0 0 0 0 0 1 -1