ChemSpider 2D Image | 1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)azepane | C32H39NO2

1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)azepane

  • Molecular FormulaC32H39NO2
  • Average mass469.658 Da
  • Monoisotopic mass469.298065 Da
  • ChemSpider ID29405825

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)azepan [German] [ACD/IUPAC Name]
1-(2-{[(2S,3S)-6-Methoxy-1,1-dimethyl-2,3-diphenyl-2,3-dihydro-1H-inden-4-yl]oxy}ethyl)azepane [ACD/IUPAC Name]
1-(2-{[(2S,3S)-6-Méthoxy-1,1-diméthyl-2,3-diphényl-2,3-dihydro-1H-indén-4-yl]oxy}éthyl)azépane [French] [ACD/IUPAC Name]
1H-Azepine, 1-[2-[[(2S,3S)-2,3-dihydro-6-methoxy-1,1-dimethyl-2,3-diphenyl-1H-inden-4-yl]oxy]ethyl]hexahydro- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 151.2±18.7 °C
Index of Refraction: 1.566
Molar Refractivity: 143.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.80
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 666.85
ACD/KOC (pH 5.5): 548.63
ACD/LogD (pH 7.4): 6.40
ACD/BCF (pH 7.4): 19389.88
ACD/KOC (pH 7.4): 15952.42
Polar Surface Area: 22 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 441.1±3.0 cm3

Click to predict properties on the Chemicalize site


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