ChemSpider 2D Image | 1-(4-Methylphenyl)-1-oxo-2-propanyl 4-[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(pentyl)amino]-4-oxobutanoate | C27H38N4O6

1-(4-Methylphenyl)-1-oxo-2-propanyl 4-[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(pentyl)amino]-4-oxobutanoate

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID22436171

More details:

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

1-(4-Methylphenyl)-1-oxo-2-propanyl 4-[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(pentyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
1-(4-Methylphenyl)-1-oxo-2-propanyl-4-[(6-amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(pentyl)amino]-4-oxobutanoat [German] [ACD/IUPAC Name]
4-[(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(pentyl)amino]-4-oxobutanoate de 1-(4-méthylphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)pentylamino]-4-oxo-, 1-methyl-2-(4-methylphenyl)-2-oxoethyl ester [ACD/Index 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: 1.573
Molar Refractivity: 138.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.54
ACD/BCF (pH 5.5): 49.79
ACD/KOC (pH 5.5): 565.21
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 44.63
ACD/KOC (pH 7.4): 506.62
Polar Surface Area: 139 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 420.8±5.0 cm3

Click to predict properties on the Chemicalize site


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