ChemSpider 2D Image | 3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-(2-{[4-(trifluoromethyl)benzyl]oxy}-2-propanyl)-3H-purin-6-amine | C29H32F3N5O3

3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-(2-{[4-(trifluoromethyl)benzyl]oxy}-2-propanyl)-3H-purin-6-amine

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID9401748

More details:

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

3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-(2-{[4-(trifluormethyl)benzyl]oxy}-2-propanyl)-3H-purin-6-amin [German] [ACD/IUPAC Name]
3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-(2-{[4-(trifluoromethyl)benzyl]oxy}-2-propanyl)-3H-purin-6-amine [ACD/IUPAC Name]
3-[3-(Cyclopentyloxy)-4-méthoxybenzyl]-8-(2-{[4-(trifluorométhyl)benzyl]oxy}-2-propanyl)-3H-purin-6-amine [French] [ACD/IUPAC Name]
3H-Purin-6-amine, 3-[[3-(cyclopentyloxy)-4-methoxyphenyl]methyl]-8-[1-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]ethyl]- [ACD/Index Name]
V11294 Analogue 5t

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.8±34.3 °C
Index of Refraction: 1.606
Molar Refractivity: 142.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.91
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 348.05
ACD/KOC (pH 5.5): 1619.18
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1152.87
ACD/KOC (pH 7.4): 5363.33
Polar Surface Area: 94 Å2
Polarizability: 56.6±0.5 10-24cm3
Surface Tension: 43.9±7.0 dyne/cm
Molar Volume: 414.1±7.0 cm3

Click to predict properties on the Chemicalize site


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