ChemSpider 2D Image | 2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 4-(4-methylphenyl)-4-oxobutanoate | C28H32N4O6

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 4-(4-methylphenyl)-4-oxobutanoate

  • Molecular FormulaC28H32N4O6
  • Average mass520.577 Da
  • Monoisotopic mass520.232178 Da
  • ChemSpider ID21984785

More details:

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

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl 4-(4-methylphenyl)-4-oxobutanoate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl-4-(4-methylphenyl)-4-oxobutanoat [German] [ACD/IUPAC Name]
4-(4-Méthylphényl)-4-oxobutanoate de 2-[(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
Benzenebutanoic acid, 4-methyl-γ-oxo-, 2-[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl](2-methylpropyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.621
Molar Refractivity: 140.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.64
ACD/KOC (pH 5.5): 188.35
ACD/LogD (pH 7.4): 1.63
ACD/BCF (pH 7.4): 10.06
ACD/KOC (pH 7.4): 178.19
Polar Surface Area: 139 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 398.7±5.0 cm3

Click to predict properties on the Chemicalize site


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