ChemSpider 2D Image | 6-Benzyl-4-(4-isobutyl-1,4-diazepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine | C27H32N6

6-Benzyl-4-(4-isobutyl-1,4-diazepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

  • Molecular FormulaC27H32N6
  • Average mass440.583 Da
  • Monoisotopic mass440.268860 Da
  • ChemSpider ID22786031

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4-[hexahydro-4-(2-methylpropyl)-1H-1,4-diazepin-1-yl]-1-phenyl-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-4-(4-isobutyl-1,4-diazepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-Benzyl-4-(4-isobutyl-1,4-diazepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-Benzyl-4-(4-isobutyl-1,4-diazépan-1-yl)-1-phényl-1H-pyrazolo[3,4-d]pyrimidine [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.7±30.1 °C
Index of Refraction: 1.652
Molar Refractivity: 134.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.88
ACD/LogD (pH 5.5): 2.46
ACD/BCF (pH 5.5): 10.39
ACD/KOC (pH 5.5): 34.16
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 628.41
ACD/KOC (pH 7.4): 2065.44
Polar Surface Area: 50 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 369.0±7.0 cm3

Click to predict properties on the Chemicalize site


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