ChemSpider 2D Image | 7,8-Dimethoxy-5-methyl-3-[3-(trifluoromethyl)benzyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one | C21H18F3N3O3

7,8-Dimethoxy-5-methyl-3-[3-(trifluoromethyl)benzyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one

  • Molecular FormulaC21H18F3N3O3
  • Average mass417.381 Da
  • Monoisotopic mass417.130035 Da
  • ChemSpider ID29345235

More details:

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

4H-Pyridazino[4,5-b]indol-4-one, 3,5-dihydro-7,8-dimethoxy-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]- [ACD/Index Name]
7,8-Dimethoxy-5-methyl-3-[3-(trifluormethyl)benzyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-on [German] [ACD/IUPAC Name]
7,8-Dimethoxy-5-methyl-3-[3-(trifluoromethyl)benzyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one [ACD/IUPAC Name]
7,8-Diméthoxy-5-méthyl-3-[3-(trifluorométhyl)benzyl]-3,5-dihydro-4H-pyridazino[4,5-b]indol-4-one [French] [ACD/IUPAC Name]
1401590-04-2 [RN]
6,7-Dimethoxy-9-methyl-2-(3-trifluoromethyl-benzyl)-2,9-dihydro-2,3,9-triaza-fluoren-1-one
7,8-dimethoxy-5-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]pyridazino[4,5-b]indol-4-one

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 556.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 83.9±3.0 kJ/mol
    Flash Point: 290.6±32.9 °C
    Index of Refraction: 1.594
    Molar Refractivity: 103.3±0.5 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.02
    ACD/LogD (pH 5.5): 3.49
    ACD/BCF (pH 5.5): 265.57
    ACD/KOC (pH 5.5): 1891.61
    ACD/LogD (pH 7.4): 3.49
    ACD/BCF (pH 7.4): 265.57
    ACD/KOC (pH 7.4): 1891.61
    Polar Surface Area: 56 Å2
    Polarizability: 41.0±0.5 10-24cm3
    Surface Tension: 41.1±7.0 dyne/cm
    Molar Volume: 304.4±7.0 cm3

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