ChemSpider 2D Image | N-{6-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-6-oxohexyl}-2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide | C29H40N2O6

N-{6-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-6-oxohexyl}-2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide

  • Molecular FormulaC29H40N2O6
  • Average mass512.638 Da
  • Monoisotopic mass512.288635 Da
  • ChemSpider ID17466266

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[6-[(4aS,8aS)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-6-oxohexyl]-2-[(2-oxo-4-propyl-2H-1-benzopyran-7-yl)oxy]- [ACD/Index Name]
N-{6-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isochinolinyl]-6-oxohexyl}-2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamid [German] [ACD/IUPAC Name]
N-{6-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinoléinyl]-6-oxohexyl}-2-[(2-oxo-4-propyl-2H-chromén-7-yl)oxy]acétamide [French] [ACD/IUPAC Name]
N-{6-[(4aS,8aS)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-6-oxohexyl}-2-[(2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide [ACD/IUPAC Name]
1212209-45-4 [RN]
MCULE-2803664148
MolPort-002-523-835
N-[6-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-6-oxohexyl]-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
STOCK1N-49247
ZINC08918457

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 774.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 118.3±3.0 kJ/mol
    Flash Point: 422.3±32.9 °C
    Index of Refraction: 1.567
    Molar Refractivity: 139.0±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 3.90
    ACD/LogD (pH 5.5): 3.72
    ACD/BCF (pH 5.5): 394.99
    ACD/KOC (pH 5.5): 2513.28
    ACD/LogD (pH 7.4): 3.72
    ACD/BCF (pH 7.4): 394.99
    ACD/KOC (pH 7.4): 2513.28
    Polar Surface Area: 105 Å2
    Polarizability: 55.1±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 425.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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