ChemSpider 2D Image | [1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl][4-(4-morpholinyl)-3-nitrophenyl]methanone | C35H43N3O8

[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl][4-(4-morpholinyl)-3-nitrophenyl]methanone

  • Molecular FormulaC35H43N3O8
  • Average mass633.731 Da
  • Monoisotopic mass633.304993 Da
  • ChemSpider ID4301481

More details:

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

[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isochinolinyl][4-(4-morpholinyl)-3-nitrophenyl]methanon [German] [ACD/IUPAC Name]
[1-(3,4-Diéthoxybenzyl)-6,7-diéthoxy-3,4-dihydro-2(1H)-isoquinoléinyl][4-(4-morpholinyl)-3-nitrophényl]méthanone [French] [ACD/IUPAC Name]
[1-(3,4-Diethoxybenzyl)-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl][4-(4-morpholinyl)-3-nitrophenyl]methanone [ACD/IUPAC Name]
Methanone, [1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl][4-(4-morpholinyl)-3-nitrophenyl]- [ACD/Index Name]
[1-(3,4-Diethoxy-benzyl)-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-3-nitro-phenyl)-methanone
[1-(3,4-diethoxybenzyl)-6,7-diethoxy-3,4-dihydroisoquinolin-2(1H)-yl][4-(morpholin-4-yl)-3-nitrophenyl]methanone
[1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(4-morpholin-4-yl-3-nitrophenyl)methanone

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 785.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.7 mmHg at 25°C
    Enthalpy of Vaporization: 114.3±3.0 kJ/mol
    Flash Point: 429.1±32.9 °C
    Index of Refraction: 1.586
    Molar Refractivity: 174.4±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 0
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 3
    ACD/LogP: 6.26
    ACD/LogD (pH 5.5): 4.78
    ACD/BCF (pH 5.5): 2551.33
    ACD/KOC (pH 5.5): 9553.28
    ACD/LogD (pH 7.4): 4.78
    ACD/BCF (pH 7.4): 2551.48
    ACD/KOC (pH 7.4): 9553.83
    Polar Surface Area: 116 Å2
    Polarizability: 69.1±0.5 10-24cm3
    Surface Tension: 49.3±3.0 dyne/cm
    Molar Volume: 519.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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