ChemSpider 2D Image | N-Butyl-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide | C25H34FN7O

N-Butyl-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID22621135

More details:

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

1H-1,4-Diazepine-1-carboxamide, N-butyl-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hexahydro- [ACD/Index Name]
N-Butyl-4-[1-(4-fluorophenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
N-Butyl-4-[1-(4-fluorophényl)-3-méthyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]
N-Butyl-4-[1-(4-fluorphenyl)-3-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-carboxamid [German] [ACD/IUPAC 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: 589.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.2±30.1 °C
Index of Refraction: 1.632
Molar Refractivity: 131.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 622.80
ACD/KOC (pH 5.5): 2947.48
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1108.07
ACD/KOC (pH 7.4): 5244.03
Polar Surface Area: 79 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 46.6±7.0 dyne/cm
Molar Volume: 369.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement