ChemSpider 2D Image | 4-{[4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}benzonitrile | C24H23N7

4-{[4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}benzonitrile

  • Molecular FormulaC24H23N7
  • Average mass409.486 Da
  • Monoisotopic mass409.201508 Da
  • ChemSpider ID21773977

More details:

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

4-{[4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}benzonitril [German] [ACD/IUPAC Name]
4-{[4-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]methyl}benzonitrile [ACD/IUPAC Name]
4-{[4-(1-Phényl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazépan-1-yl]méthyl}benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[[hexahydro-4-(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1H-1,4-diazepin-1-yl]methyl]- [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: 576.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±30.1 °C
Index of Refraction: 1.699
Molar Refractivity: 123.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.04
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 6.40
ACD/KOC (pH 5.5): 58.86
ACD/LogD (pH 7.4): 2.91
ACD/BCF (pH 7.4): 91.34
ACD/KOC (pH 7.4): 839.97
Polar Surface Area: 74 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 56.6±7.0 dyne/cm
Molar Volume: 319.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement