ChemSpider 2D Image | 2-[(5-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C23H32N2O5

2-[(5-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC23H32N2O5
  • Average mass416.511 Da
  • Monoisotopic mass416.231110 Da
  • ChemSpider ID29769527
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

2-[(5-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-[(5-Hydroxy-2,2-dimethyl-4-oxo-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-[(5-Hydroxy-2,2-diméthyl-4-oxo-3,4-dihydro-2H-chromén-7-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(3,4-dihydro-5-hydroxy-2,2-dimethyl-4-oxo-2H-1-benzopyran-7-yl)oxy]-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
1442080-42-3 [RN]
C23H32N2O5
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(5-hydroxy-2,2-dimethyl-4-oxo-3H-chromen-7-yl)oxy]acetamide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 657.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 351.6±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 112.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.25
ACD/LogD (pH 7.4): 1.24
ACD/BCF (pH 7.4): 1.29
ACD/KOC (pH 7.4): 8.07
Polar Surface Area: 88 Å2
Polarizability: 44.4±0.5 10-24cm3
Surface Tension: 57.5±5.0 dyne/cm
Molar Volume: 329.0±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement