(3S)-10-(2,6-Dimethyl-4-Pyridinyl)-9-Fluoro-3-Methyl-7-Oxo-2,3-Dihydro-7H-[1,4]Thiazino[2,3,4-Ij]Quinoline-6-Carboxylic Acid

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Properties Simple | Detailed

Formula C20H27FN2O3S+
IUPAC Name (3s)-10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7h-[1,4]thiazino[2,3,4-ij]quinoline-6-carboxylic acid
Molecular Mass 394.503 g·mol−1
Heat of Formation -491.7 ± 16.7 kJ·mol−1
Dipole Moment 6.36 ± 1.08 D
Volume 422.4 Å 3
Surface Area 365.54 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
Synonyms
  • (s)-10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-7h-pyrido(1,2,3-de)-1,4-benzothiazine-6-carboxylic acid
  • 10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-3-methyl-7-oxo-2,3-dihydro-7h-pyrido(1,2,3-de)(1,4)-benzothiazine-6-carboxylic acid
  • 7h-pyrido(1,2,3-de)-1,4-benzothiazine-6-carboxylic acid, 10-(2,6-dimethyl-4-pyridinyl)-9-fluoro-2,3-dihydro-3-methyl-7-oxo-, (s)-
  • win 58161
  • win-58161
CAS Number(s)
  • 122033-48-1
InChIKey DNYDAUUCCWZVJY-NSHDSACASA-N
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