ChemSpider 2D Image | N-(4-Chlorophenyl)-2-[(1R,4aS,8aS)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydro-2(1H)-isoquinolinyl]acetamide | C26H33ClN2O5

N-(4-Chlorophenyl)-2-[(1R,4aS,8aS)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydro-2(1H)-isoquinolinyl]acetamide

  • Molecular FormulaC26H33ClN2O5
  • Average mass489.004 Da
  • Monoisotopic mass488.207794 Da
  • ChemSpider ID22872360

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(1H)-Isoquinolineacetamide, N-(4-chlorophenyl)octahydro-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-, (1R,4aS,8aS)- [ACD/Index Name]
N-(4-Chlorophényl)-2-[(1R,4aS,8aS)-4a-hydroxy-1-(3,4,5-triméthoxyphényl)octahydro-2(1H)-isoquinoléinyl]acétamide [French] [ACD/IUPAC Name]
N-(4-Chlorophenyl)-2-[(1R,4aS,8aS)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydro-2(1H)-isoquinolinyl]acetamide [ACD/IUPAC Name]
N-(4-Chlorphenyl)-2-[(1R,4aS,8aS)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)octahydro-2(1H)-isochinolinyl]acetamid [German] [ACD/IUPAC Name]
1013885-87-4 [RN]
2-[(1R,4aS,8aS)-4a-hydroxy-1-(3,4,5-trimethoxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-N-(4-chlorophenyl)acetamide

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 662.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.4±3.0 kJ/mol
    Flash Point: 354.3±31.5 °C
    Index of Refraction: 1.599
    Molar Refractivity: 132.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 4.32
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 597.30
    ACD/KOC (pH 5.5): 3314.20
    ACD/LogD (pH 7.4): 3.99
    ACD/BCF (pH 7.4): 638.92
    ACD/KOC (pH 7.4): 3545.11
    Polar Surface Area: 80 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 51.9±3.0 dyne/cm
    Molar Volume: 387.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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