ChemSpider 2D Image | N-(4-{[6-sec-Butyl-1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-1,3-benzodioxole-5-carboxamide | C29H31ClN6O3

N-(4-{[6-sec-Butyl-1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-1,3-benzodioxole-5-carboxamide

  • Molecular FormulaC29H31ClN6O3
  • Average mass547.048 Da
  • Monoisotopic mass546.214600 Da
  • ChemSpider ID22640303

More details:

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

1,3-Benzodioxole-5-carboxamide, N-[4-[[1-(2-chlorophenyl)-6-(1-methylpropyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]- [ACD/Index Name]
N-(4-{[6-sec-Butyl-1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-1,3-benzodioxole-5-carboxamide [ACD/IUPAC Name]
N-(4-{[6-sec-Butyl-1-(2-chlorophényl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-1,3-benzodioxole-5-carboxamide [French] [ACD/IUPAC Name]
N-(4-{[6-sec-Butyl-1-(2-chlorphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}cyclohexyl)-1,3-benzodioxol-5-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 651.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.0±31.5 °C
Index of Refraction: 1.707
Molar Refractivity: 148.0±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.60
ACD/LogD (pH 5.5): 4.83
ACD/BCF (pH 5.5): 2740.98
ACD/KOC (pH 5.5): 10014.00
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2781.63
ACD/KOC (pH 7.4): 10162.52
Polar Surface Area: 103 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 379.8±7.0 cm3

Click to predict properties on the Chemicalize site


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