ChemSpider 2D Image | Ethyl 6-{[4-(cyclopentylcarbonyl)-1-piperazinyl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H38N4O6

Ethyl 6-{[4-(cyclopentylcarbonyl)-1-piperazinyl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC27H38N4O6
  • Average mass514.614 Da
  • Monoisotopic mass514.279114 Da
  • ChemSpider ID22686180

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(cyclopentylcarbonyl)-1-piperazinyl]methyl]-4-(2,3-dimethoxyphenyl)-1,2,3,4-tetrahydro-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(Cyclopentylcarbonyl)-1-pipérazinyl]méthyl}-4-(2,3-diméthoxyphényl)-1-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(cyclopentylcarbonyl)-1-piperazinyl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(cyclopentylcarbonyl)-1-piperazinyl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC 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: 695.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.9±3.0 kJ/mol
Flash Point: 374.5±31.5 °C
Index of Refraction: 1.560
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 1.10
ACD/BCF (pH 5.5): 2.13
ACD/KOC (pH 5.5): 28.27
ACD/LogD (pH 7.4): 2.17
ACD/BCF (pH 7.4): 25.49
ACD/KOC (pH 7.4): 338.40
Polar Surface Area: 101 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 47.5±3.0 dyne/cm
Molar Volume: 423.8±3.0 cm3

Click to predict properties on the Chemicalize site


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