ChemSpider 2D Image | 3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-{2-methyl-1-[4-(trifluoromethyl)phenoxy]-2-propanyl}-3H-purin-6-amine | C29H32F3N5O3

3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-{2-methyl-1-[4-(trifluoromethyl)phenoxy]-2-propanyl}-3H-purin-6-amine

  • Molecular FormulaC29H32F3N5O3
  • Average mass555.591 Da
  • Monoisotopic mass555.245728 Da
  • ChemSpider ID23244351

More details:

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

3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-{2-methyl-1-[4-(trifluormethyl)phenoxy]-2-propanyl}-3H-purin-6-amin [German] [ACD/IUPAC Name]
3-[3-(Cyclopentyloxy)-4-methoxybenzyl]-8-{2-methyl-1-[4-(trifluoromethyl)phenoxy]-2-propanyl}-3H-purin-6-amine [ACD/IUPAC Name]
3-[3-(Cyclopentyloxy)-4-méthoxybenzyl]-8-{2-méthyl-1-[4-(trifluorométhyl)phénoxy]-2-propanyl}-3H-purin-6-amine [French] [ACD/IUPAC Name]
3-[3-(cyclopentyloxy)-4-methoxybenzyl]-8-{2-methyl-1-[4-(trifluoromethyl)phenoxy]propan-2-yl}-3H-purin-6-amine
3H-Purin-6-amine, 3-[[3-(cyclopentyloxy)-4-methoxyphenyl]methyl]-8-[1,1-dimethyl-2-[4-(trifluoromethyl)phenoxy]ethyl]- [ACD/Index Name]
3-(3-Cyclopentyloxy-4-methoxy-benzyl)-8-[1,1-dimethyl-2-(4-trifluoromethyl-phenoxy)-ethyl]-3H-purin-6-ylamine
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL368739/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 633.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 336.8±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: 4.47
ACD/LogD (pH 5.5): 4.13
ACD/BCF (pH 5.5): 630.59
ACD/KOC (pH 5.5): 2618.80
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1732.23
ACD/KOC (pH 7.4): 7193.82
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

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