ChemSpider 2D Image | Ethyl 6-{[4-(ethylcarbamoyl)-3-methyl-1-piperazinyl]methyl}-1-methyl-4-[4-(2-methyl-2-propanyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C27H41N5O4

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

  • Molecular FormulaC27H41N5O4
  • Average mass499.646 Da
  • Monoisotopic mass499.315857 Da
  • ChemSpider ID22642857

More details:

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

5-Pyrimidinecarboxylic acid, 4-[4-(1,1-dimethylethyl)phenyl]-6-[[4-[(ethylamino)carbonyl]-3-methyl-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-1-methyl-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(Éthylcarbamoyl)-3-méthyl-1-pipérazinyl]méthyl}-1-méthyl-4-[4-(2-méthyl-2-propanyl)phényl]-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(ethylcarbamoyl)-3-methyl-1-piperazinyl]methyl}-1-methyl-4-[4-(2-methyl-2-propanyl)phenyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(ethylcarbamoyl)-3-methyl-1-piperazinyl]methyl}-1-methyl-4-[4-(2-methyl-2-propanyl)phenyl]-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: 1.1±0.1 g/cm3
Boiling Point: 700.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.6±32.9 °C
Index of Refraction: 1.538
Molar Refractivity: 138.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 4.81
ACD/KOC (pH 5.5): 32.68
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 169.53
ACD/KOC (pH 7.4): 1151.28
Polar Surface Area: 94 Å2
Polarizability: 55.0±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 443.1±3.0 cm3

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