ChemSpider 2D Image | Ethyl 6-(1,4'-bipiperidin-1'-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate | C24H33FN4O3

Ethyl 6-(1,4'-bipiperidin-1'-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

  • Molecular FormulaC24H33FN4O3
  • Average mass444.542 Da
  • Monoisotopic mass444.253662 Da
  • ChemSpider ID21921230

More details:

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

5-Pyrimidinecarboxylic acid, 6-([1,4'-bipiperidin]-1'-ylmethyl)-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-2-oxo-, ethyl ester [ACD/Index Name]
6-(1,4'-Bipipéridin-1'-ylméthyl)-4-(4-fluorophényl)-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 6-(1,4'-bipiperidin-1'-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate [ACD/IUPAC Name]
Ethyl-6-(1,4'-bipiperidin-1'-ylmethyl)-4-(4-fluorphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxylat [German] [ACD/IUPAC Name]
6-[1,4']Bipiperidinyl-1'-ylmethyl-4-(4-fluoro-phenyl)-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid ethyl ester
894912-63-1 [RN]
ethyl 4-(4-fluorophenyl)-2-oxo-6-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
ethyl 6-([1,4'-bipiperidin]-1'-ylmethyl)-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-(1,4'-bipiperidin-1'-ylmethyl)-4-(4-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: 1.2±0.1 g/cm3
    Boiling Point: 547.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 82.7±3.0 kJ/mol
    Flash Point: 284.9±30.1 °C
    Index of Refraction: 1.557
    Molar Refractivity: 118.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.27
    ACD/LogD (pH 5.5): -0.89
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): 0.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.11
    Polar Surface Area: 74 Å2
    Polarizability: 47.1±0.5 10-24cm3
    Surface Tension: 45.7±3.0 dyne/cm
    Molar Volume: 369.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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