ChemSpider 2D Image | (2R)-2-[1-Cyano-3-ethyl-8-{2-[4-(trifluoromethyl)phenyl]ethyl}-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]-N-methyl-2-phenylacetamide | C27H28F3N5O

(2R)-2-[1-Cyano-3-ethyl-8-{2-[4-(trifluoromethyl)phenyl]ethyl}-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]-N-methyl-2-phenylacetamide

  • Molecular FormulaC27H28F3N5O
  • Average mass495.539 Da
  • Monoisotopic mass495.224609 Da
  • ChemSpider ID29404287

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(2R)-2-[1-Cyan-3-ethyl-8-{2-[4-(trifluormethyl)phenyl]ethyl}-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]-N-methyl-2-phenylacetamid [German] [ACD/IUPAC Name]
(2R)-2-[1-Cyano-3-ethyl-8-{2-[4-(trifluoromethyl)phenyl]ethyl}-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]-N-methyl-2-phenylacetamide [ACD/IUPAC Name]
(2R)-2-[1-Cyano-3-éthyl-8-{2-[4-(trifluorométhyl)phényl]éthyl}-5,6-dihydroimidazo[1,5-a]pyrazin-7(8H)-yl]-N-méthyl-2-phénylacétamide [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazine-7(8H)-acetamide, 1-cyano-3-ethyl-5,6-dihydro-N-methyl-α-phenyl-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-, (αR)- [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: 673.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.9±3.0 kJ/mol
Flash Point: 360.9±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 133.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1030.59
ACD/KOC (pH 5.5): 4987.83
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1034.35
ACD/KOC (pH 7.4): 5006.04
Polar Surface Area: 74 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 43.0±7.0 dyne/cm
Molar Volume: 390.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement