ChemSpider 2D Image | 2-(4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}phenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide | C29H27F3N6O3

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

  • Molecular FormulaC29H27F3N6O3
  • Average mass564.558 Da
  • Monoisotopic mass564.209656 Da
  • ChemSpider ID129030873

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

2-(4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}phenyl)-2-hydroxy-2-[3-(trifluormethyl)phenyl]acetamid [German] [ACD/IUPAC Name]
2-(4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}phenyl)-2-hydroxy-2-[3-(trifluoromethyl)phenyl]acetamide [ACD/IUPAC Name]
2-(4-{8-Amino-3-[(6R,8aS)-3-oxooctahydro-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl}phényl)-2-hydroxy-2-[3-(trifluorométhyl)phényl]acétamide [French] [ACD/IUPAC Name]
Benzeneacetamide, α-[4-[8-amino-3-[(6R,8aS)-octahydro-3-oxo-6-indolizinyl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-α-hydroxy-3-(trifluoromethyl)- [ACD/Index 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: 1.710
Molar Refractivity: 142.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 2.28
ACD/KOC (pH 5.5): 35.34
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 15.95
ACD/KOC (pH 7.4): 246.82
Polar Surface Area: 140 Å2
Polarizability: 56.3±0.5 10-24cm3
Surface Tension: 60.8±7.0 dyne/cm
Molar Volume: 363.3±7.0 cm3

Click to predict properties on the Chemicalize site


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