ChemSpider 2D Image | 2-[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-({2-[(4aS,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}amino)-2-oxoethyl]acetamide | C32H37N3O7

2-[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-({2-[(4aS,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}amino)-2-oxoethyl]acetamide

  • Molecular FormulaC32H37N3O7
  • Average mass575.652 Da
  • Monoisotopic mass575.263123 Da
  • ChemSpider ID17465998

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-({2-[(4aS,8aS)-4a-hydroxyoctahydro-2(1H)-isochinolinyl]-2-oxoethyl}amino)-2-oxoethyl]acetamid [German] [ACD/IUPAC Name]
2-[(3-Benzyl-4-méthyl-2-oxo-2H-chromén-7-yl)oxy]-N-[2-({2-[(4aS,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}amino)-2-oxoéthyl]acétamide [French] [ACD/IUPAC Name]
2-[(3-Benzyl-4-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-[2-({2-[(4aS,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}amino)-2-oxoethyl]acetamide [ACD/IUPAC Name]
Acetamide, 2-[[4-methyl-2-oxo-3-(phenylmethyl)-2H-1-benzopyran-7-yl]oxy]-N-[2-[[2-[(4aS,8aS)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-2-oxoethyl]amino]-2-oxoethyl]- [ACD/Index Name]
1212294-78-4 [RN]
N-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-2-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]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: 908.2±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 138.3±3.0 kJ/mol
    Flash Point: 503.0±34.3 °C
    Index of Refraction: 1.612
    Molar Refractivity: 153.2±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 3
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 2
    ACD/LogP: 4.51
    ACD/LogD (pH 5.5): 3.57
    ACD/BCF (pH 5.5): 305.69
    ACD/KOC (pH 5.5): 2092.04
    ACD/LogD (pH 7.4): 3.57
    ACD/BCF (pH 7.4): 305.69
    ACD/KOC (pH 7.4): 2092.01
    Polar Surface Area: 134 Å2
    Polarizability: 60.7±0.5 10-24cm3
    Surface Tension: 59.2±3.0 dyne/cm
    Molar Volume: 440.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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