ChemSpider 2D Image | 4-(4-Methoxyphenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione | C21H18F3N3O3

4-(4-Methoxyphenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione

  • Molecular FormulaC21H18F3N3O3
  • Average mass417.381 Da
  • Monoisotopic mass417.130035 Da
  • ChemSpider ID21532586

More details:

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

1H-Pyrrolo[3,4-d]pyrimidine-2,5-dione, 3,4,6,7-tetrahydro-4-(4-methoxyphenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
4-(4-Methoxyphenyl)-1-methyl-6-[3-(trifluormethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidin-2,5-dion [German] [ACD/IUPAC Name]
4-(4-Methoxyphenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [ACD/IUPAC Name]
4-(4-Méthoxyphényl)-1-méthyl-6-[3-(trifluorométhyl)phényl]-3,4,6,7-tétrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione [French] [ACD/IUPAC Name]
4-(4-Methoxy-phenyl)-1-methyl-6-(3-trifluoromethyl-phenyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(4-methoxyphenyl)-1-methyl-6-[3-(trifluoromethyl)phenyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
7-(4-methoxyphenyl)-4-methyl-2-[3-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-4,6-diazaisoindole-1,5-dione
893781-64-1 [RN]

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

    Density: 1.4±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: 1.628
    Molar Refractivity: 102.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.80
    ACD/LogD (pH 5.5): 2.73
    ACD/BCF (pH 5.5): 70.62
    ACD/KOC (pH 5.5): 732.97
    ACD/LogD (pH 7.4): 2.73
    ACD/BCF (pH 7.4): 70.61
    ACD/KOC (pH 7.4): 732.84
    Polar Surface Area: 62 Å2
    Polarizability: 40.5±0.5 10-24cm3
    Surface Tension: 56.3±5.0 dyne/cm
    Molar Volume: 288.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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