ChemSpider 2D Image | 2-Methoxyethyl 5-fluoro-1'-(8-{[(3S)-tetrahydro-3-furanyloxy]carbonyl}-8-azabicyclo[3.2.1]oct-3-yl)spiro[indole-3,4'-piperidine]-1(2H)-carboxylate | C28H38FN3O6

2-Methoxyethyl 5-fluoro-1'-(8-{[(3S)-tetrahydro-3-furanyloxy]carbonyl}-8-azabicyclo[3.2.1]oct-3-yl)spiro[indole-3,4'-piperidine]-1(2H)-carboxylate

  • Molecular FormulaC28H38FN3O6
  • Average mass531.616 Da
  • Monoisotopic mass531.274475 Da
  • ChemSpider ID9824204

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

2-Methoxyethyl 5-fluoro-1'-(8-{[(3S)-tetrahydro-3-furanyloxy]carbonyl}-8-azabicyclo[3.2.1]oct-3-yl)spiro[indole-3,4'-piperidine]-1(2H)-carboxylate [ACD/IUPAC Name]
2-Methoxyethyl-5-fluor-1'-(8-{[(3S)-tetrahydro-3-furanyloxy]carbonyl}-8-azabicyclo[3.2.1]oct-3-yl)spiro[indole-3,4'-piperidine]-1(2H)-carboxylat [German] [ACD/IUPAC Name]
5-Fluoro-1'-(8-{[(3S)-tétrahydro-3-furanyloxy]carbonyl}-8-azabicyclo[3.2.1]oct-3-yl)spiro[indole-3,4'-piperidine]-1(2H)-carboxylate de 2-méthoxyéthyle [French] [ACD/IUPAC Name]
Spiro[3H-indole-3,4'-piperidine]-1(2H)-carboxylic acid, 5-fluoro-1'-[8-[[[(3S)-tetrahydro-3-furanyl]oxy]carbonyl]-8-azabicyclo[3.2.1]oct-3-yl]-, 2-methoxyethyl ester [ACD/Index 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: 641.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.7±3.0 kJ/mol
Flash Point: 341.8±31.5 °C
Index of Refraction: 1.606
Molar Refractivity: 137.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.06
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 2.27
ACD/KOC (pH 7.4): 20.76
Polar Surface Area: 81 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 398.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement