1-Tert-Butyl-7-[(1R,4R)-2,5-Diazabicyclo[2.2.1]Hept-2-Yl]-6-Fluoro-4-Oxo-1,4-Dihydro-1,8-Naphthyridine-3-Carboxylic Acid

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Properties Simple | Detailed

Formula C18H21FN4O3
IUPAC Name 1-tert-butyl-7-[(1r,4r)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
Molecular Mass 360.383 g·mol−1
Heat of Formation -472.8 ± 16.7 kJ·mol−1
Dipole Moment 9.85 ± 1.08 D
Volume 408.76 Å 3
Surface Area 338.21 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 1,8-naphthyridine-3-carboxylic acid, 1,4-dihydro-7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-4-oxo-, (1r)-
  • 1,8-naphthyridine-3-carboxylic acid, 7-(2,5-diazabicyclo(2.2.1)hept-2-yl)-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-, (1r)-
  • 1,8-naphthyridine-3-carboxylic acid, 7-[(1r,4r)-2,5-diazabicyclo[2.2.1]hept-2-yl]-1-(1,1-dimethylethyl)-6-fluoro-1,4-dihydro-4-oxo-
  • 1-tert-butyl-7-[(1r,4r)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-keto-1,8-naphthyridine-3-carboxylic acid
  • 1-tert-butyl-7-[(1r,4r)-3,6-diazabicyclo[2.2.1]heptan-6-yl]-6-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
  • bmy 40062
CAS Number(s)
  • 116143-32-9
InChIKey KNHLHFDFFDCJJR-NXEZZACHSA-N
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