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

4-[1-(4-Fluorophenyl)-3-methyl-6-(2-pentanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide

  • Molecular FormulaC25H34FN7O
  • Average mass467.582 Da
  • Monoisotopic mass467.280884 Da
  • ChemSpider ID22621227

More details:

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

1H-1,4-Diazepine-1-carboxamide, 4-[1-(4-fluorophenyl)-3-methyl-6-(1-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hexahydro-N,N-dimethyl- [ACD/Index Name]
4-[1-(4-Fluorophenyl)-3-methyl-6-(2-pentanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-1,4-diazepane-1-carboxamide [ACD/IUPAC Name]
4-[1-(4-Fluorophényl)-3-méthyl-6-(2-pentanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-diméthyl-1,4-diazépane-1-carboxamide [French] [ACD/IUPAC Name]
4-[1-(4-Fluorphenyl)-3-methyl-6-(2-pentanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N,N-dimethyl-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: 544.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.3±3.0 kJ/mol
Flash Point: 283.2±30.1 °C
Index of Refraction: 1.626
Molar Refractivity: 132.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.88
ACD/LogD (pH 5.5): 3.78
ACD/BCF (pH 5.5): 389.04
ACD/KOC (pH 5.5): 2175.55
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 617.49
ACD/KOC (pH 7.4): 3453.07
Polar Surface Area: 70 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 44.4±7.0 dyne/cm
Molar Volume: 373.7±7.0 cm3

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