ChemSpider 2D Image | 1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-({3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}oxy)ethanone | C28H27NO5S

1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-({3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}oxy)ethanone

  • Molecular FormulaC28H27NO5S
  • Average mass489.583 Da
  • Monoisotopic mass489.160980 Da
  • ChemSpider ID29772856

More details:

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

1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isochinolinyl)-2-({3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}oxy)ethanon [German] [ACD/IUPAC Name]
1-(6,7-Diméthoxy-3,4-dihydro-2(1H)-isoquinoléinyl)-2-({3-[4-(méthylsulfanyl)phényl]-1-benzofuran-5-yl}oxy)éthanone [French] [ACD/IUPAC Name]
1-(6,7-Dimethoxy-3,4-dihydro-2(1H)-isoquinolinyl)-2-({3-[4-(methylsulfanyl)phenyl]-1-benzofuran-5-yl}oxy)ethanone [ACD/IUPAC Name]
Ethanone, 1-(3,4-dihydro-6,7-dimethoxy-2(1H)-isoquinolinyl)-2-[[3-[4-(methylthio)phenyl]-5-benzofuranyl]oxy]- [ACD/Index Name]
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[[3-(4-methylsulfanylphenyl)-1-benzofuran-5-yl]oxy]ethanone
1574479-64-3 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 702.9±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.9±3.0 kJ/mol
    Flash Point: 378.9±32.9 °C
    Index of Refraction: 1.673
    Molar Refractivity: 138.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 5.43
    ACD/LogD (pH 5.5): 5.55
    ACD/BCF (pH 5.5): 9693.13
    ACD/KOC (pH 5.5): 24837.08
    ACD/LogD (pH 7.4): 5.55
    ACD/BCF (pH 7.4): 9693.13
    ACD/KOC (pH 7.4): 24837.08
    Polar Surface Area: 86 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 62.4±5.0 dyne/cm
    Molar Volume: 369.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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