60375279 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 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 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 9 9 10 10 11 11 12 13 14 14 15 16 16 16 17 17 18 18 19 19 20 20 22 22 23 23 24 24 25 25 26 27 13 16 8 21 6 8 10 9 21 33 11 28 29 8 12 14 12 13 17 18 19 20 30 15 15 31 32 21 34 35 22 36 23 37 24 38 25 39 26 40 26 41 27 42 27 43 44 45 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 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 8.9561 5.4641 10.7263 4.5981 8.9561 4.5981 6.3301 5.4641 8.0622 3.732 3.732 7.1962 8.0622 6.3301 7.1962 9.8622 2.866 3.732 3.732 2.866 9.8622 2 2.866 2.866 2 2 2 5.2087 4.8101 7.1962 5.7932 7.1962 8.949 10.473 10.0712 2.866 4.269 4.269 2.866 1.4631 2.866 2.866 1.4631 1.4631 1.4631 1.0347 -2 -1.0241 -0.5 -1.0347 0.5 -0.5 -1 -0.5 -1 1 -1 0.5 0.5 1 0.5208 -0.5 -2 2 0.5 -0.5208 -1 -2.5 2.5 1 -2 2 0.3923 1.0826 -1.62 0.81 1.62 -1.6546 0.4147 1.1045 0.12 -2.31 2.31 -0.12 -0.69 -3.12 3.12 0.69 -2.31 2.31 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 9 10 10 11 11 13 14 17 18 19 20 22 23 24 25 12 14 12 13 17 18 19 20 15 15 22 23 24 25 26 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 528 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 4 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-benzyl-3-oxo-N-phenyl-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-phenyl-N-(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>-benzyl-3-oxo-<I>N</I>-phenyl-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-benzyl-3-oxo-N-phenyl-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 3-oxidanylidene-N-phenyl-N-(phenylmethyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-benzyl-3-keto-N-phenyl-4H-1,4-benzothiazine-6-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H18N2O2S/c25-21-15-27-20-12-11-17(13-19(20)23-21)22(26)24(18-9-5-2-6-10-18)14-16-7-3-1-4-8-16/h1-13H,14-15H2,(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FXKMMIANRTXNBT-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 2021.10.14 374.10889899 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H18N2O2S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 374.5 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)C4=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)C4=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 2021.10.14 374.10889899 27 0 0 0 0 0 0 0 1 -1