Found 1 result

Search term: AGUPFDFSGDERMK-RBUKOAKNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide | C20H23N3O

N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide

  • Molecular FormulaC20H23N3O
  • Average mass321.416 Da
  • Monoisotopic mass321.184113 Da
  • ChemSpider ID26364967

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Benzamide, N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]- [ACD/Index Name]
N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamid [German] [ACD/IUPAC Name]
N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide [ACD/IUPAC Name]
N-[(2S,3R)-2-(3-Pyridinylméthyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 545.7±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 283.8±24.6 °C
Index of Refraction: 1.630
Molar Refractivity: 94.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.83
Polar Surface Area: 45 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 265.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement