ChemSpider 2D Image | Ethyl 6-{[4-(ethoxycarbonyl)-1-piperazinyl]methyl}-4-(4-isopropoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C24H34N4O6

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

  • Molecular FormulaC24H34N4O6
  • Average mass474.550 Da
  • Monoisotopic mass474.247833 Da
  • ChemSpider ID21903649

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(ethoxycarbonyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-4-[4-(1-methylethoxy)phenyl]-2-oxo-, ethyl ester [ACD/Index Name]
6-{[4-(Éthoxycarbonyl)-1-pipérazinyl]méthyl}-4-(4-isopropoxyphényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-{[4-(ethoxycarbonyl)-1-piperazinyl]methyl}-4-(4-isopropoxyphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-{[4-(ethoxycarbonyl)-1-piperazinyl]methyl}-4-(4-isopropoxyphenyl)-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: 589.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 310.1±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 124.7±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 1.22
ACD/BCF (pH 5.5): 2.27
ACD/KOC (pH 5.5): 24.83
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 44.38
ACD/KOC (pH 7.4): 485.88
Polar Surface Area: 109 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 396.3±3.0 cm3

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