ChemSpider 2D Image | N-{[(1S,5S)-8-[Bis(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamide | C30H32Cl2N2O2

N-{[(1S,5S)-8-[Bis(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamide

  • Molecular FormulaC30H32Cl2N2O2
  • Average mass523.493 Da
  • Monoisotopic mass522.184082 Da
  • ChemSpider ID23332681

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Acetamide, N-[[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl]- [ACD/Index Name]
N-{[(1S,5S)-8-[Bis(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(1S,5S)-8-[Bis(2-chlorophényl)méthyl]-3-(4-méthoxyphényl)-8-azabicyclo[3.2.1]oct-3-yl]méthyl}acétamide [French] [ACD/IUPAC Name]
N-{[(1S,5S)-8-[Bis(2-chlorphenyl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamid [German] [ACD/IUPAC Name]
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(4-methoxyphenyl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
CHEMBL507604

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

Density: 1.2±0.1 g/cm3
Boiling Point: 651.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 347.8±31.5 °C
Index of Refraction: 1.599
Molar Refractivity: 145.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 60.80
ACD/KOC (pH 5.5): 128.71
ACD/LogD (pH 7.4): 5.14
ACD/BCF (pH 7.4): 3069.61
ACD/KOC (pH 7.4): 6497.72
Polar Surface Area: 42 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 426.7±3.0 cm3

Click to predict properties on the Chemicalize site


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