ChemSpider 2D Image | N-[3-Fluoro-4-(1H-imidazol-1-yl)benzyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine | C21H16FN7

N-[3-Fluoro-4-(1H-imidazol-1-yl)benzyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

  • Molecular FormulaC21H16FN7
  • Average mass385.397 Da
  • Monoisotopic mass385.145111 Da
  • ChemSpider ID69285178

More details:

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

1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[[3-fluoro-4-(1H-imidazol-1-yl)phenyl]methyl]-1-phenyl- [ACD/Index Name]
N-[3-Fluor-4-(1H-imidazol-1-yl)benzyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amin [German] [ACD/IUPAC Name]
N-[3-Fluoro-4-(1H-imidazol-1-yl)benzyl]-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [ACD/IUPAC Name]
N-[3-Fluoro-4-(1H-imidazol-1-yl)benzyl]-1-phényl-1H-pyrazolo[3,4-d]pyrimidin-4-amine [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 564.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.8±3.0 kJ/mol
Flash Point: 295.0±30.1 °C
Index of Refraction: 1.726
Molar Refractivity: 109.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.66
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 62.54
ACD/KOC (pH 5.5): 611.90
ACD/LogD (pH 7.4): 2.85
ACD/BCF (pH 7.4): 86.48
ACD/KOC (pH 7.4): 846.18
Polar Surface Area: 73 Å2
Polarizability: 43.5±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 275.9±7.0 cm3

Click to predict properties on the Chemicalize site


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