ChemSpider 2D Image | 2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-{2-[(4aR,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}acetamide | C25H32N2O6

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

  • Molecular FormulaC25H32N2O6
  • Average mass456.531 Da
  • Monoisotopic mass456.226044 Da
  • ChemSpider ID62531484

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-{2-[(4aR,8aS)-4a-hydroxyoctahydro-2(1H)-isochinolinyl]-2-oxoethyl}acetamid [German] [ACD/IUPAC Name]
2-[(4-Éthyl-8-méthyl-2-oxo-2H-chromén-7-yl)oxy]-N-{2-[(4aR,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinoléinyl]-2-oxoéthyl}acétamide [French] [ACD/IUPAC Name]
2-[(4-Ethyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-{2-[(4aR,8aS)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}acetamide [ACD/IUPAC Name]
Acetamide, 2-[(4-ethyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[2-[(4aR,8aS)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-2-oxoethyl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 740.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.5±32.9 °C
Index of Refraction: 1.586
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.50
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 69.76
ACD/KOC (pH 5.5): 726.58
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 69.76
ACD/KOC (pH 7.4): 726.58
Polar Surface Area: 105 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 359.3±3.0 cm3

Click to predict properties on the Chemicalize site


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