ChemSpider 2D Image | Ethyl 1-cyclopropyl-7-fluoro-8-{(3S)-3-[(2-methoxyethyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-pyrrolidinyl}-9-methyl-4-oxo-4H-quinolizine-3-carboxylate | C28H38FN3O6

Ethyl 1-cyclopropyl-7-fluoro-8-{(3S)-3-[(2-methoxyethyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-pyrrolidinyl}-9-methyl-4-oxo-4H-quinolizine-3-carboxylate

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID8896335

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Cyclopropyl-7-fluoro-8-{(3S)-3-[(2-méthoxyéthyl){[(2-méthyl-2-propanyl)oxy]carbonyl}amino]-1-pyrrolidinyl}-9-méthyl-4-oxo-4H-quinolizine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Quinolizine-3-carboxylic acid, 1-cyclopropyl-8-[(3S)-3-[[(1,1-dimethylethoxy)carbonyl](2-methoxyethyl)amino]-1-pyrrolidinyl]-7-fluoro-9-methyl-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-cyclopropyl-7-fluoro-8-{(3S)-3-[(2-methoxyethyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-pyrrolidinyl}-9-methyl-4-oxo-4H-quinolizine-3-carboxylate [ACD/IUPAC Name]
Ethyl-1-cyclopropyl-7-fluor-8-{(3S)-3-[(2-methoxyethyl){[(2-methyl-2-propanyl)oxy]carbonyl}amino]-1-pyrrolidinyl}-9-methyl-4-oxo-4H-chinolizin-3-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 605.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 320.0±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 139.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 4.16
ACD/KOC (pH 5.5): 42.82
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 58.31
ACD/KOC (pH 7.4): 599.98
Polar Surface Area: 89 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 418.1±5.0 cm3

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