ChemSpider 2D Image | 2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl (2-ethyl-1H-benzimidazol-1-yl)acetate | C28H32N6O5

2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl (2-ethyl-1H-benzimidazol-1-yl)acetate

  • Molecular FormulaC28H32N6O5
  • Average mass532.591 Da
  • Monoisotopic mass532.243408 Da
  • ChemSpider ID21963934

More details:

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

(2-Éthyl-1H-benzimidazol-1-yl)acétate de 2-[(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoéthyle [French] [ACD/IUPAC Name]
1H-Benzimidazole-1-acetic acid, 2-ethyl-, 2-[[6-amino-1,2,3,4-tetrahydro-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl](2-methylpropyl)amino]-2-oxoethyl ester [ACD/Index Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl (2-ethyl-1H-benzimidazol-1-yl)acetate [ACD/IUPAC Name]
2-[(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(isobutyl)amino]-2-oxoethyl-(2-ethyl-1H-benzimidazol-1-yl)acetat [German] [ACD/IUPAC 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: 1.648
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 1.48
ACD/BCF (pH 5.5): 7.60
ACD/KOC (pH 5.5): 143.83
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 7.96
ACD/KOC (pH 7.4): 150.65
Polar Surface Area: 140 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 400.1±7.0 cm3

Click to predict properties on the Chemicalize site


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