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

Methyl 6-{[4-(3-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 ID26008288

More details:

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

5-Pyrimidinecarboxylic acid, 6-[[4-(3-chlorophenyl)-1-piperazinyl]methyl]-4-(3-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, methyl ester [ACD/Index Name]
6-{[4-(3-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-(3-chlorophenyl)-1-piperazinyl]methyl}-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Methyl-6-{[4-(3-chlorphenyl)-1-piperazinyl]methyl}-4-(3-fluorphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
1252894-57-7 [RN]
6-[4-(3-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-(3-chlorophenyl)piperazin-1-yl)methyl)-4-(3-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 6-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4-(3-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
methyl 6-{[4-(3-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: 589.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 88.0±3.0 kJ/mol
    Flash Point: 310.3±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): 2.45
    ACD/BCF (pH 5.5): 24.32
    ACD/KOC (pH 5.5): 175.50
    ACD/LogD (pH 7.4): 3.42
    ACD/BCF (pH 7.4): 226.41
    ACD/KOC (pH 7.4): 1633.64
    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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