ChemSpider 2D Image | 4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-3-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide | C31H31F3N6O4

4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-3-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide

  • Molecular FormulaC31H31F3N6O4
  • Average mass608.611 Da
  • Monoisotopic mass608.235901 Da
  • ChemSpider ID76805785

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-3-(2-methoxyethoxy)-N-[3-(trifluormethyl)phenyl]benzamid [German] [ACD/IUPAC Name]
4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-3-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]benzamide [ACD/IUPAC Name]
4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}-3-(2-méthoxyéthoxy)-N-[3-(trifluorométhyl)phényl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[8-amino-3-[(6R,8aS)-octahydro-3-oxo-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl]-3-(2-methoxyethoxy)-N-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.667
Molar Refractivity: 153.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.16
ACD/LogD (pH 5.5): 2.16
ACD/BCF (pH 5.5): 17.15
ACD/KOC (pH 5.5): 163.10
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 90.72
ACD/KOC (pH 7.4): 862.74
Polar Surface Area: 124 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 53.2±7.0 dyne/cm
Molar Volume: 412.7±7.0 cm3

Click to predict properties on the Chemicalize site


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