ChemSpider 2D Image | Ethyl 4-(4-fluorophenyl)-2-oxo-6-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C23H26FN5O3

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

  • Molecular FormulaC23H26FN5O3
  • Average mass439.483 Da
  • Monoisotopic mass439.201965 Da
  • ChemSpider ID21921231

More details:

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

4-(4-Fluorophényl)-2-oxo-6-{[4-(2-pyridinyl)-1-pipérazinyl]méthyl}-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxylic acid, 4-(4-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-6-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(4-fluorophenyl)-2-oxo-6-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(4-fluorphenyl)-2-oxo-6-{[4-(2-pyridinyl)-1-piperazinyl]methyl}-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
4-(4-Fluoro-phenyl)-2-oxo-6-(4-pyridin-2-yl-piperazin-1-ylmethyl)-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
894912-70-0 [RN]
ethyl 4-(4-fluorophenyl)-2-oxo-6-((4-(pyridin-2-yl)piperazin-1-yl)methyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
ethyl 4-(4-fluorophenyl)-2-oxo-6-{[4-(pyridin-2-yl)piperazin-1-yl]methyl}-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: 585.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 87.5±3.0 kJ/mol
    Flash Point: 307.9±30.1 °C
    Index of Refraction: 1.583
    Molar Refractivity: 115.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.28
    ACD/LogD (pH 5.5): -0.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 6.34
    ACD/KOC (pH 7.4): 71.91
    Polar Surface Area: 87 Å2
    Polarizability: 45.9±0.5 10-24cm3
    Surface Tension: 49.8±3.0 dyne/cm
    Molar Volume: 346.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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