ChemSpider 2D Image | 2-[7-(3,4-Dimethoxyphenyl)-3-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl]benzoic acid | C35H35N3O8

2-[7-(3,4-Dimethoxyphenyl)-3-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl]benzoic acid

  • Molecular FormulaC35H35N3O8
  • Average mass625.668 Da
  • Monoisotopic mass625.242432 Da
  • ChemSpider ID21837698

More details:

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

2-[7-(3,4-Dimethoxyphenyl)-3-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]chinolin-1-yl]benzoesäure [German] [ACD/IUPAC Name]
2-[7-(3,4-Dimethoxyphenyl)-3-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl]benzoic acid [ACD/IUPAC Name]
Acide 2-[7-(3,4-diméthoxyphényl)-3-méthyl-5-oxo-4-(3,4,5-triméthoxyphényl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoléin-1-yl]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[7-(3,4-dimethoxyphenyl)-4,5,6,7,8,9-hexahydro-3-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[3,4-b]quinolin-1-yl]- [ACD/Index Name]
2-(7-(3,4-dimethoxyphenyl)-3-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,5,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinolin-1-yl)benzoic acid
2-[7-(3,4-Dimethoxy-phenyl)-3-methyl-5-oxo-4-(3,4,5-trimethoxy-phenyl)-4,5,6,7,8,9-hexahydro-pyrazolo[3,4-b]quinolin-1-yl]-benzoic acid
951921-63-4 [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: 763.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 116.7±3.0 kJ/mol
    Flash Point: 415.7±32.9 °C
    Index of Refraction: 1.641
    Molar Refractivity: 167.0±0.5 cm3
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.97
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 32.32
    ACD/KOC (pH 5.5): 115.60
    ACD/LogD (pH 7.4): 1.80
    ACD/BCF (pH 7.4): 2.51
    ACD/KOC (pH 7.4): 8.97
    Polar Surface Area: 130 Å2
    Polarizability: 66.2±0.5 10-24cm3
    Surface Tension: 48.0±7.0 dyne/cm
    Molar Volume: 463.0±7.0 cm3

    Click to predict properties on the Chemicalize site


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