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

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

  • Molecular FormulaC27H32N6
  • Average mass440.583 Da
  • Monoisotopic mass440.268860 Da
  • ChemSpider ID22786520

More details:

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

1H-Pyrazolo[3,4-d]pyrimidine, 4-(4-butylhexahydro-1H-1,4-diazepin-1-yl)-1-phenyl-6-(phenylmethyl)- [ACD/Index Name]
6-Benzyl-4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin [German] [ACD/IUPAC Name]
6-Benzyl-4-(4-butyl-1,4-diazepan-1-yl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine [ACD/IUPAC Name]
6-Benzyl-4-(4-butyl-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: 541.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.2±30.1 °C
Index of Refraction: 1.651
Molar Refractivity: 135.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.07
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 9.24
ACD/KOC (pH 5.5): 28.87
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 520.34
ACD/KOC (pH 7.4): 1626.12
Polar Surface Area: 50 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 48.7±7.0 dyne/cm
Molar Volume: 369.9±7.0 cm3

Click to predict properties on the Chemicalize site


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