ChemSpider 2D Image | N-(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-2-ethyl-N-{2-[(2-ethylbutanoyl)amino]ethyl}butanamide | C28H40N6O4

N-(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-2-ethyl-N-{2-[(2-ethylbutanoyl)amino]ethyl}butanamide

  • Molecular FormulaC28H40N6O4
  • Average mass524.655 Da
  • Monoisotopic mass524.311096 Da
  • ChemSpider ID21881043

More details:

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

Butanamide, 2-ethyl-N-[2-[(2-ethyl-1-oxobutyl)amino]ethyl]-N-[2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-1H-purin-8-yl]- [ACD/Index Name]
N-(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-2-ethyl-N-{2-[(2-ethylbutanoyl)amino]ethyl}butanamid [German] [ACD/IUPAC Name]
N-(7-Benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-2-ethyl-N-{2-[(2-ethylbutanoyl)amino]ethyl}butanamide [ACD/IUPAC Name]
N-(7-Benzyl-1,3-diméthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)-2-éthyl-N-{2-[(2-éthylbutanoyl)amino]éthyl}butanamide [French] [ACD/IUPAC Name]

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: 1.599
Molar Refractivity: 148.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.58
ACD/BCF (pH 5.5): 310.44
ACD/KOC (pH 5.5): 2115.23
ACD/LogD (pH 7.4): 3.58
ACD/BCF (pH 7.4): 310.44
ACD/KOC (pH 7.4): 2115.24
Polar Surface Area: 108 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 45.2±7.0 dyne/cm
Molar Volume: 433.6±7.0 cm3

Click to predict properties on the Chemicalize site


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