ChemSpider 2D Image | 7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo(3-~14~C)-1,4-dihydro-3-quinolinecarboxylic acid | C1814CH18ClF2N3O3

7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo(3-14C)-1,4-dihydro-3-quinolinecarboxylic acid

  • Molecular FormulaC1814CH18ClF2N3O3
  • Average mass411.807 Da
  • Monoisotopic mass411.103729 Da
  • ChemSpider ID9513826

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-Quinoline-3-14C-carboxylic acid, 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo- [ACD/Index Name]
7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chlor-6-fluor-1-[(1R,2S)-2-fluorcyclopropyl]-4-oxo(3-14C)-1,4-dihydro-3-chinolincarbonsäure [German] [ACD/IUPAC Name]
7-[(7S)-7-Amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo(3-14C)-1,4-dihydro-3-quinolinecarboxylic acid [ACD/IUPAC Name]
Acide 7-[(7S)-7-amino-5-azaspiro[2.4]hept-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxo(3-14C)-1,4-dihydro-3-quinoléinecarboxylique [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.699
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 250.4±5.0 cm3

Click to predict properties on the Chemicalize site


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