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

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

  • Molecular FormulaC27H41N5O4
  • Average mass499.646 Da
  • Monoisotopic mass499.315857 Da
  • ChemSpider ID22684698

More details:

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

1-Éthyl-6-{[4-(isopropylcarbamoyl)-1-pipérazinyl]méthyl}-4-(4-isopropylphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 1-ethyl-1,2,3,4-tetrahydro-6-[[4-[[(1-methylethyl)amino]carbonyl]-1-piperazinyl]methyl]-4-[4-(1-methylethyl)phenyl]-2-oxo-, ethyl ester [ACD/Index Name]
Ethyl 1-ethyl-6-{[4-(isopropylcarbamoyl)-1-piperazinyl]methyl}-4-(4-isopropylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-ethyl-6-{[4-(isopropylcarbamoyl)-1-piperazinyl]methyl}-4-(4-isopropylphenyl)-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: 703.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.9±3.0 kJ/mol
Flash Point: 378.9±32.9 °C
Index of Refraction: 1.543
Molar Refractivity: 138.9±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.57
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 33.67
ACD/LogD (pH 7.4): 3.19
ACD/BCF (pH 7.4): 138.90
ACD/KOC (pH 7.4): 1031.78
Polar Surface Area: 94 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 43.1±3.0 dyne/cm
Molar Volume: 440.9±3.0 cm3

Click to predict properties on the Chemicalize site


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