ChemSpider 2D Image | 7-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-[4-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one | C23H22F6N4O2

7-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-[4-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one

  • Molecular FormulaC23H22F6N4O2
  • Average mass500.437 Da
  • Monoisotopic mass500.164703 Da
  • ChemSpider ID26374542

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

7-[(3R)-3-Amino-4-(2,4,5-trifluorophenyl)butanoyl]-2-[4-(trifluoromethyl)phenyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one [ACD/IUPAC Name]
7-[(3R)-3-Amino-4-(2,4,5-trifluorophényl)butanoyl]-2-[4-(trifluorométhyl)phényl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-one [French] [ACD/IUPAC Name]
7-[(3R)-3-Amino-4-(2,4,5-trifluorphenyl)butanoyl]-2-[4-(trifluormethyl)phenyl]hexahydroimidazo[1,5-a]pyrazin-3(2H)-on [German] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazin-3(2H)-one, 7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]hexahydro-2-[4-(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: 596.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±32.9 °C
Index of Refraction: 1.593
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 1.52
ACD/BCF (pH 5.5): 3.59
ACD/KOC (pH 5.5): 31.94
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 85.20
ACD/KOC (pH 7.4): 758.22
Polar Surface Area: 70 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 337.8±5.0 cm3

Click to predict properties on the Chemicalize site


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