ChemSpider 2D Image | 7-Benzyl-1-(4-fluorophenyl)-3-(2-methoxyethyl)-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one | C23H25FN4O2

7-Benzyl-1-(4-fluorophenyl)-3-(2-methoxyethyl)-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one

  • Molecular FormulaC23H25FN4O2
  • Average mass408.469 Da
  • Monoisotopic mass408.196167 Da
  • ChemSpider ID23075892

More details:

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

6H-Pyrimido[1,2-a]-1,3,5-triazin-6-one, 1-(4-fluorophenyl)-1,2,3,4-tetrahydro-3-(2-methoxyethyl)-8-methyl-7-(phenylmethyl)- [ACD/Index Name]
7-Benzyl-1-(4-fluorophenyl)-3-(2-methoxyethyl)-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [ACD/IUPAC Name]
7-Benzyl-1-(4-fluorophényl)-3-(2-méthoxyéthyl)-8-méthyl-1,2,3,4-tétrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [French] [ACD/IUPAC Name]
7-Benzyl-1-(4-fluorphenyl)-3-(2-methoxyethyl)-8-methyl-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-on [German] [ACD/IUPAC Name]
1158312-03-8 [RN]
7-Benzyl-1-(4-fluoro-phenyl)-3-(2-methoxy-ethyl)-8-methyl-1,2,3,4-tetrahydro-pyrimido[1,2-a][1,3,5]triazin-6-one
7-benzyl-1-(4-fluorophenyl)-3-(2-methoxyethyl)-8-methyl-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 533.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.0±3.0 kJ/mol
    Flash Point: 276.6±32.9 °C
    Index of Refraction: 1.613
    Molar Refractivity: 115.0±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 2.84
    ACD/BCF (pH 5.5): 84.99
    ACD/KOC (pH 5.5): 836.39
    ACD/LogD (pH 7.4): 2.84
    ACD/BCF (pH 7.4): 85.14
    ACD/KOC (pH 7.4): 837.92
    Polar Surface Area: 48 Å2
    Polarizability: 45.6±0.5 10-24cm3
    Surface Tension: 44.8±7.0 dyne/cm
    Molar Volume: 330.6±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement