ChemSpider 2D Image | Methyl 4-{[2-(4-isopropoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate | C30H33NO7

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

  • Molecular FormulaC30H33NO7
  • Average mass519.586 Da
  • Monoisotopic mass519.225708 Da
  • ChemSpider ID2501768

More details:

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

4-{[2-(4-Isopropoxybenzoyl)-6,7-diméthoxy-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-[4-(1-methylethoxy)benzoyl]-1-isoquinolinyl]methoxy]-, methyl ester [ACD/Index Name]
Methyl 4-{[2-(4-isopropoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl]methoxy}benzoate [ACD/IUPAC Name]
Methyl-4-{[2-(4-isopropoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isochinolinyl]methoxy}benzoat [German] [ACD/IUPAC Name]
486452-84-0 [RN]
methyl 4-((2-(4-isopropoxybenzoyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methoxy)benzoate
methyl 4-({6,7-dimethoxy-2-[4-(propan-2-yloxy)benzoyl]-1,2,3,4-tetrahydroisoquinolin-1-yl}methoxy)benzoate
methyl 4-[[6,7-dimethoxy-2-(4-propan-2-yloxybenzoyl)-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 679.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 99.7±3.0 kJ/mol
    Flash Point: 364.6±31.5 °C
    Index of Refraction: 1.571
    Molar Refractivity: 143.6±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 0
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 2
    ACD/LogP: 5.34
    ACD/LogD (pH 5.5): 5.27
    ACD/BCF (pH 5.5): 5935.43
    ACD/KOC (pH 5.5): 17483.53
    ACD/LogD (pH 7.4): 5.27
    ACD/BCF (pH 7.4): 5935.43
    ACD/KOC (pH 7.4): 17483.53
    Polar Surface Area: 84 Å2
    Polarizability: 56.9±0.5 10-24cm3
    Surface Tension: 44.4±3.0 dyne/cm
    Molar Volume: 437.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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