(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

Molecule SVG Image

Properties Simple | Detailed

Formula C20H17FN2O3S
IUPAC Name (2s)-6-(2,6-dimethyl-4-pyridyl)-7-fluoro-2-methyl-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8,11-tetraene-11-carboxylic acid
Molecular Mass 384.424 g·mol−1
Heat of Formation -499.2 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 422.27 Å 3
Surface Area 364.12 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy 1.82 ± 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
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H O N S