ChemSpider 2D Image | Ethyl 7-{1-[(allyloxy)carbonyl]octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl}-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate | C28H34FN3O6

Ethyl 7-{1-[(allyloxy)carbonyl]octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl}-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate

  • Molecular FormulaC28H34FN3O6
  • Average mass527.584 Da
  • Monoisotopic mass527.243164 Da
  • ChemSpider ID57440866

More details:

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

3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-6-fluoro-1,4-dihydro-7-[octahydro-1-[(2-propen-1-yloxy)carbonyl]-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-, ethyl ester [ACD/Index Name]
7-{1-[(Allyloxy)carbonyl]octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl}-1-cyclopropyl-8-éthoxy-6-fluoro-4-oxo-1,4-dihydro-3-quinoléinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 7-{1-[(allyloxy)carbonyl]octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl}-1-cyclopropyl-8-ethoxy-6-fluoro-4-oxo-1,4-dihydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Ethyl-7-{1-[(allyloxy)carbonyl]octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl}-1-cyclopropyl-8-ethoxy-6-fluor-4-oxo-1,4-dihydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
N-ALLYLOXYCARBONYL 8-ETHOXY MOXIFLOXACIN ETHYL ESTER

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

Density: 1.3±0.1 g/cm3
Boiling Point: 678.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.0±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 136.1±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 358.51
ACD/KOC (pH 5.5): 2341.75
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.16
ACD/KOC (pH 7.4): 2352.52
Polar Surface Area: 89 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 404.1±3.0 cm3

Click to predict properties on the Chemicalize site


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