Found 1 result

Search term: RPYCUDHNQUMCME-RBUKOAKNSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-Bromo-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide | C20H22BrN3O

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

  • Molecular FormulaC20H22BrN3O
  • Average mass400.312 Da
  • Monoisotopic mass399.094604 Da
  • ChemSpider ID26365578

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-Brom-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamid [German] [ACD/IUPAC Name]
4-Bromo-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide [ACD/IUPAC Name]
4-Bromo-N-[(2S,3R)-2-(3-pyridinylméthyl)-1-azabicyclo[2.2.2]oct-3-yl]benzamide [French] [ACD/IUPAC Name]
Benzamide, 4-bromo-N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.6±27.3 °C
Index of Refraction: 1.655
Molar Refractivity: 102.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.25
ACD/BCF (pH 7.4): 1.83
ACD/KOC (pH 7.4): 15.28
Polar Surface Area: 45 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 61.6±5.0 dyne/cm
Molar Volume: 278.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement