ChemSpider 2D Image | 2-(4,9-Dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide | C34H40N2O5

2-(4,9-Dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID58173084

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-(4,9-Dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-chinolizin-1-ylmethyl]acetamid [German] [ACD/IUPAC Name]
2-(4,9-Dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl)-N-(2-methoxyethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]acetamide [ACD/IUPAC Name]
2-(4,9-Diméthyl-7-oxo-3-phényl-7H-furo[2,3-f]chromén-8-yl)-N-(2-méthoxyéthyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylméthyl]acétamide [French] [ACD/IUPAC Name]
7H-Furo[2,3-f][1]benzopyran-8-acetamide, N-(2-methoxyethyl)-4,9-dimethyl-N-[[(1S,9aR)-octahydro-2H-quinolizin-1-yl]methyl]-7-oxo-3-phenyl- [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: 727.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.2±3.0 kJ/mol
Flash Point: 393.8±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.81
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 22.53
ACD/KOC (pH 5.5): 43.10
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 100.19
ACD/KOC (pH 7.4): 191.65
Polar Surface Area: 72 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 444.9±5.0 cm3

Click to predict properties on the Chemicalize site


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