ChemSpider 2D Image | 2-[(4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-{3-[(4aS,8aR)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-3-oxopropyl}acetamide | C28H38N2O6

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

  • Molecular FormulaC28H38N2O6
  • Average mass498.611 Da
  • Monoisotopic mass498.272980 Da
  • ChemSpider ID62532806

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-{3-[(4aS,8aR)-4a-hydroxyoctahydro-2(1H)-isochinolinyl]-3-oxopropyl}acetamid [German] [ACD/IUPAC Name]
2-[(4-Butyl-8-méthyl-2-oxo-2H-chromén-7-yl)oxy]-N-{3-[(4aS,8aR)-4a-hydroxyoctahydro-2(1H)-isoquinoléinyl]-3-oxopropyl}acétamide [French] [ACD/IUPAC Name]
2-[(4-Butyl-8-methyl-2-oxo-2H-chromen-7-yl)oxy]-N-{3-[(4aS,8aR)-4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-3-oxopropyl}acetamide [ACD/IUPAC Name]
Acetamide, 2-[(4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]-N-[3-[(4aS,8aR)-octahydro-4a-hydroxy-2(1H)-isoquinolinyl]-3-oxopropyl]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 761.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 414.3±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 134.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 385.87
ACD/KOC (pH 5.5): 2471.62
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 385.87
ACD/KOC (pH 7.4): 2471.62
Polar Surface Area: 105 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 408.9±3.0 cm3

Click to predict properties on the Chemicalize site


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