ChemSpider 2D Image | N-{4-[(4aR,8aR)-4a-Hydroxyoctahydro-2(1H)-isoquinolinyl]-4-oxobutyl}-2-[(8-methyl-2-oxo-4-propyl-2H-chromen-7-yl)oxy]acetamide | C28H38N2O6

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

  • Molecular FormulaC28H38N2O6
  • Average mass498.611 Da
  • Monoisotopic mass498.272980 Da
  • ChemSpider ID62586120
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 765.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.9±3.0 kJ/mol
Flash Point: 416.6±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: 3.83
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 325.49
ACD/KOC (pH 5.5): 2188.17
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 325.49
ACD/KOC (pH 7.4): 2188.18
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

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