ChemSpider 2D Image | 2-Methyl-2-propanyl {9-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-9H-purin-6-yl}carbamate | C16H20BrN7O2

2-Methyl-2-propanyl {9-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-9H-purin-6-yl}carbamate

  • Molecular FormulaC16H20BrN7O2
  • Average mass422.280 Da
  • Monoisotopic mass421.086182 Da
  • ChemSpider ID114851113

More details:

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

{9-[3-(4-Bromo-1H-pyrazol-1-yl)propyl]-9H-purin-6-yl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {9-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-9H-purin-6-yl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{9-[3-(4-brom-1H-pyrazol-1-yl)propyl]-9H-purin-6-yl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[9-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-9H-purin-6-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.680
Molar Refractivity: 101.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 356.76
ACD/KOC (pH 5.5): 2331.73
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 261.60
ACD/KOC (pH 7.4): 1709.82
Polar Surface Area: 100 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 268.8±7.0 cm3

Click to predict properties on the Chemicalize site


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