ChemSpider 2D Image | 2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C32H38N2O5

2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID29769300

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-[(8,8-Dimethyl-2-oxo-4-phenyl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromen-5-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-[(8,8-Diméthyl-2-oxo-4-phényl-9,10-dihydro-2H,8H-pyrano[2,3-f]chromén-5-yl)oxy]-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(9,10-dihydro-8,8-dimethyl-2-oxo-4-phenyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-5-yl)oxy]-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]- [ACD/Index Name]
1442080-17-2 [RN]
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-[(8,8-dimethyl-2-oxo-4-phenyl-9,10-dihydropyrano[2,3-h]chromen-5-yl)oxy]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: 749.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 406.8±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 148.5±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.56
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 20.03
ACD/KOC (pH 5.5): 39.50
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 72.84
ACD/KOC (pH 7.4): 143.61
Polar Surface Area: 77 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 418.3±5.0 cm3

Click to predict properties on the Chemicalize site


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