ChemSpider 2D Image | N-(2-Benzylphenyl)-3-(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanamide | C29H35N5O3

N-(2-Benzylphenyl)-3-(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanamide

  • Molecular FormulaC29H35N5O3
  • Average mass501.620 Da
  • Monoisotopic mass501.273987 Da
  • ChemSpider ID2525207

More details:

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

1H-Purine-8-propanamide, 2,3,6,7-tetrahydro-3,7-bis(2-methylpropyl)-2,6-dioxo-N-[2-(phenylmethyl)phenyl]- [ACD/Index Name]
N-(2-Benzylphenyl)-3-(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanamid [German] [ACD/IUPAC Name]
N-(2-Benzylphenyl)-3-(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)propanamide [ACD/IUPAC Name]
N-(2-Benzylphényl)-3-(3,7-diisobutyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)propanamide [French] [ACD/IUPAC Name]

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

ZINC03278318 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 144.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1147.99
ACD/KOC (pH 5.5): 5393.77
ACD/LogD (pH 7.4): 4.33
ACD/BCF (pH 7.4): 1143.28
ACD/KOC (pH 7.4): 5371.64
Polar Surface Area: 96 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 46.8±7.0 dyne/cm
Molar Volume: 408.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement