ChemSpider 2D Image | Methyl 4-(2-chlorophenyl)-6-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C23H24ClFN4O3

Methyl 4-(2-chlorophenyl)-6-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC23H24ClFN4O3
  • Average mass458.913 Da
  • Monoisotopic mass458.152100 Da
  • ChemSpider ID26008148

More details:

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

4-(2-Chlorophényl)-6-{[4-(4-fluorophényl)-1-pipérazinyl]méthyl}-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(2-chlorophenyl)-6-[[4-(4-fluorophenyl)-1-piperazinyl]methyl]-1,2,3,4-tetrahydro-2-oxo-, methyl ester [ACD/Index Name]
Methyl 4-(2-chlorophenyl)-6-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-4-(2-chlorphenyl)-6-{[4-(4-fluorphenyl)-1-piperazinyl]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
1252817-86-9 [RN]
4-(2-Chloro-phenyl)-6-[4-(4-fluoro-phenyl)-piperazin-1-ylmethyl]-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
methyl 4-(2-chlorophenyl)-6-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 581.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 305.2±30.1 °C
Index of Refraction: 1.591
Molar Refractivity: 117.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 2.01
ACD/BCF (pH 5.5): 9.91
ACD/KOC (pH 5.5): 79.40
ACD/LogD (pH 7.4): 3.17
ACD/BCF (pH 7.4): 144.20
ACD/KOC (pH 7.4): 1155.29
Polar Surface Area: 74 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 348.6±3.0 cm3

Click to predict properties on the Chemicalize site


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