ChemSpider 2D Image | Ethyl 5-[(6-amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(butyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate | C22H33N5O5

Ethyl 5-[(6-amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(butyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC22H33N5O5
  • Average mass447.528 Da
  • Monoisotopic mass447.248169 Da
  • ChemSpider ID21964370

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[[[6-amino-1,2,3,4-tetrahydro-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]butylamino]carbonyl]-2,4-dimethyl-, ethyl ester [ACD/Index Name]
5-[(6-Amino-1-isobutyl-2,4-dioxo-1,2,3,4-tétrahydro-5-pyrimidinyl)(butyl)carbamoyl]-2,4-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-[(6-amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(butyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-5-[(6-amino-1-isobutyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)(butyl)carbamoyl]-2,4-dimethyl-1H-pyrrol-3-carboxylat [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: 1.584
Molar Refractivity: 118.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 1.76
ACD/LogD (pH 5.5): 1.51
ACD/BCF (pH 5.5): 8.24
ACD/KOC (pH 5.5): 155.90
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.43
ACD/KOC (pH 7.4): 140.59
Polar Surface Area: 138 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 58.5±5.0 dyne/cm
Molar Volume: 354.7±5.0 cm3

Click to predict properties on the Chemicalize site


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