ChemSpider 2D Image | Methyl 4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate | C28H28N2O8

Methyl 4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate

  • Molecular FormulaC28H28N2O8
  • Average mass520.531 Da
  • Monoisotopic mass520.184570 Da
  • ChemSpider ID2915714

More details:

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

4-{[6,7-Diméthoxy-2-(2-méthyl-3-nitrobenzoyl)-1,2,3,4-tétrahydro-1-isoquinoléinyl]méthoxy}benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[1,2,3,4-tetrahydro-6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1-isoquinolinyl]methoxy]-, methyl ester [ACD/Index Name]
Methyl 4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate [ACD/IUPAC Name]
Methyl-4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydro-1-isochinolinyl]methoxy}benzoat [German] [ACD/IUPAC Name]
486452-93-1 [RN]
methyl 4-((6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
methyl 4-[[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate
methyl 4-{[6,7-dimethoxy-2-(2-methyl-3-nitrobenzoyl)-1,2,3,4-tetrahydroisoquinolin-1-yl]methoxy}benzoate
ZINC11726286

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 699.6±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.4±3.0 kJ/mol
    Flash Point: 376.9±31.5 °C
    Index of Refraction: 1.598
    Molar Refractivity: 139.1±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 0
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.30
    ACD/LogD (pH 5.5): 4.67
    ACD/BCF (pH 5.5): 2086.69
    ACD/KOC (pH 5.5): 8273.03
    ACD/LogD (pH 7.4): 4.67
    ACD/BCF (pH 7.4): 2086.69
    ACD/KOC (pH 7.4): 8273.03
    Polar Surface Area: 120 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 50.4±3.0 dyne/cm
    Molar Volume: 407.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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