ChemSpider 2D Image | N-{[(1S,5S)-8-[Bis(2-chlorophenyl)methyl]-3-(3-pyridinyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamide | C28H29Cl2N3O

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

  • Molecular FormulaC28H29Cl2N3O
  • Average mass494.455 Da
  • Monoisotopic mass493.168762 Da
  • ChemSpider ID23332020

  • 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-(3-pyridinyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl]- [ACD/Index Name]
N-{[(1S,5S)-8-[Bis(2-chlorophenyl)methyl]-3-(3-pyridinyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamide [ACD/IUPAC Name]
N-{[(1S,5S)-8-[Bis(2-chlorophényl)méthyl]-3-(3-pyridinyl)-8-azabicyclo[3.2.1]oct-3-yl]méthyl}acétamide [French] [ACD/IUPAC Name]
N-{[(1S,5S)-8-[Bis(2-chlorphenyl)methyl]-3-(3-pyridinyl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamid [German] [ACD/IUPAC Name]
(rel)-N-((8-(bis(2-chlorophenyl)methyl)-3-(pyridin-3-yl)-8-aza-bicyclo[3.2.1]octan-3-yl)methyl)acetamide
CHEMBL517119
N-{[(1S,5S)-8-[bis(2-chlorophenyl)methyl]-3-(pyridin-3-yl)-8-azabicyclo[3.2.1]oct-3-yl]methyl}acetamide

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

Density: 1.2±0.1 g/cm3
Boiling Point: 642.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.8±3.0 kJ/mol
Flash Point: 342.2±31.5 °C
Index of Refraction: 1.610
Molar Refractivity: 137.3±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.03
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 16.13
ACD/KOC (pH 5.5): 56.48
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1038.71
ACD/KOC (pH 7.4): 3636.36
Polar Surface Area: 45 Å2
Polarizability: 54.4±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 395.9±3.0 cm3

Click to predict properties on the Chemicalize site


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