ChemSpider 2D Image | 7-Benzyl-1-(4-methoxyphenyl)-8-methyl-3-(3-pyridinylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one | C27H27N5O2

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

  • Molecular FormulaC27H27N5O2
  • Average mass453.536 Da
  • Monoisotopic mass453.216461 Da
  • ChemSpider ID23479162

More details:

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

6H-Pyrimido[1,2-a]-1,3,5-triazin-6-one, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-8-methyl-7-(phenylmethyl)-3-(3-pyridinylmethyl)- [ACD/Index Name]
7-Benzyl-1-(4-methoxyphenyl)-8-methyl-3-(3-pyridinylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-on [German] [ACD/IUPAC Name]
7-Benzyl-1-(4-methoxyphenyl)-8-methyl-3-(3-pyridinylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [ACD/IUPAC Name]
7-Benzyl-1-(4-méthoxyphényl)-8-méthyl-3-(3-pyridinylméthyl)-1,2,3,4-tétrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one [French] [ACD/IUPAC Name]
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
1158307-88-0 [RN]
6H-Pyrimido[1,2-a]-1,3,5-triazin-6-one, 1,2,3,4-tetrahydro-1-(4-methoxyphenyl)-3-(3-methoxypropyl)-8-methyl-7-(phenylmethyl)- [ACD/Index Name]
7-Benzyl-1-(4-methoxyphenyl)-3-(3-methoxypropyl)-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-methoxyphenyl)-8-methyl-3-(3-pyridylmethyl)-1,2,3,4-tetrahydro-6H-pyrimido[1,2-a][1,3,5]triazin-6-one
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-(pyridin-3-ylmethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 626.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 92.7±3.0 kJ/mol
    Flash Point: 332.5±34.3 °C
    Index of Refraction: 1.649
    Molar Refractivity: 134.1±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.71
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 99.98
    ACD/KOC (pH 5.5): 892.92
    ACD/LogD (pH 7.4): 3.04
    ACD/BCF (pH 7.4): 119.52
    ACD/KOC (pH 7.4): 1067.42
    Polar Surface Area: 61 Å2
    Polarizability: 53.2±0.5 10-24cm3
    Surface Tension: 49.2±7.0 dyne/cm
    Molar Volume: 368.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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