60386179 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 16 8 8 7 7 6 6 6 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 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 9 9 10 10 11 11 12 12 13 14 15 15 16 17 17 18 18 19 19 20 20 21 21 21 23 23 24 24 25 25 26 26 27 28 14 21 8 22 6 7 8 12 22 36 10 29 30 11 31 32 9 13 15 17 19 18 20 13 14 33 16 16 34 35 23 37 24 38 25 39 26 40 22 41 42 27 43 28 44 27 45 28 46 47 48 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 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 35 36 37 38 39 40 41 42 43 44 45 46 47 48 8.9561 5.4641 10.7263 4.5981 8.9561 3.732 4.5981 5.4641 6.3301 3.732 3.732 8.0622 7.1962 8.0622 6.3301 7.1962 2.866 3.732 4.5981 2.866 9.8622 9.8622 2.866 2.866 4.5981 2 3.732 2 3.52 3.1215 5.2087 4.8101 7.1962 5.7932 7.1962 8.949 2.3291 4.269 5.135 2.866 10.473 10.0712 2.3291 2.866 5.135 1.4631 3.732 1.4631 1.7847 -1.25 -0.2742 0.25 -0.2847 -0.25 1.25 -0.25 0.25 -1.25 1.75 0.25 -0.25 1.25 1.25 1.75 -1.75 2.75 -1.75 1.25 1.2708 0.2292 -2.75 3.25 -2.75 1.75 -3.25 2.75 0.3326 -0.3577 1.1423 1.8326 -0.87 1.56 2.37 -0.9046 -1.44 3.06 -1.44 0.63 1.1647 1.8545 -3.06 3.87 -3.06 1.44 -3.87 3.06 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 11 12 12 14 15 17 18 19 20 23 24 25 26 13 15 17 19 18 20 13 14 16 16 23 24 25 26 27 28 27 28 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 523 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003C60C1000000000000B15000001E04100000000C08C5D804B0C183C00008880225525000820000250A1008881D0864C8082032E09591842108609600E8C9871C88008E10000040000001002000008000000200000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dibenzyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-oxo-N,N-bis(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>,<I>N</I>-dibenzyl-3-oxo-4<I>H</I>-1,4-benzothiazine-6-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dibenzyl-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-oxidanylidene-N,N-bis(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N,N-dibenzyl-3-keto-4H-1,4-benzothiazine-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H20N2O2S/c26-22-16-28-21-12-11-19(13-20(21)24-22)23(27)25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13H,14-16H2,(H,24,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FPIQPDGLPNFVFA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.9 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.12454906 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H20N2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C(=O)NC2=C(S1)C=CC(=C2)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 74.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 388.12454906 28 0 0 0 0 0 0 0 1 -1