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

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

  • Molecular FormulaC23H24ClFN4O3
  • Average mass458.913 Da
  • Monoisotopic mass458.152100 Da
  • ChemSpider ID26008287

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-4-(3-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester [ACD/Index Name]
6-{[4-(2-Chlorophényl)-1-pipérazinyl]méthyl}-4-(3-fluorophényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 6-{[4-(2-chlorophenyl)-1-piperazinyl]methyl}-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-6-{[4-(2-chlorphenyl)-1-piperazinyl]methyl}-4-(3-fluorphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-[4-(2-Chloro-phenyl)-piperazin-1-ylmethyl]-4-(3-fluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid methyl ester
methyl 6-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-4-(3-fluorophenyl)-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: 577.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.4±3.0 kJ/mol
Flash Point: 302.8±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: 4.62
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 23.67
ACD/KOC (pH 5.5): 172.10
ACD/LogD (pH 7.4): 3.40
ACD/BCF (pH 7.4): 220.31
ACD/KOC (pH 7.4): 1601.92
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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