ChemSpider 2D Image | Ethyl 5-[(6-amino-1-butyl-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-butyl-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 ID22444994

More details:

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

1H-Pyrrole-3-carboxylic acid, 5-[[(6-amino-1-butyl-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl)butylamino]carbonyl]-2,4-dimethyl-, ethyl ester [ACD/Index Name]
5-[(6-Amino-1-butyl-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-butyl-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-butyl-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: 1.585
Molar Refractivity: 118.7±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 1.94
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 10.57
ACD/KOC (pH 5.5): 186.44
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 9.66
ACD/KOC (pH 7.4): 170.43
Polar Surface Area: 138 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 354.1±5.0 cm3

Click to predict properties on the Chemicalize site


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