ChemSpider 2D Image | (1S,3S,4R)-3-(3-Chlorophenyl)-2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one | C20H20ClNO2

(1S,3S,4R)-3-(3-Chlorophenyl)-2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one

  • Molecular FormulaC20H20ClNO2
  • Average mass341.831 Da
  • Monoisotopic mass341.118256 Da
  • ChemSpider ID30659007

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,4R)-3-(3-Chlorophenyl)-2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-one [ACD/IUPAC Name]
(1S,3S,4R)-3-(3-Chlorophényl)-2-(4-méthoxyphényl)-2-azabicyclo[2.2.2]octan-5-one [French] [ACD/IUPAC Name]
(1S,3S,4R)-3-(3-Chlorphenyl)-2-(4-methoxyphenyl)-2-azabicyclo[2.2.2]octan-5-on [German] [ACD/IUPAC Name]
2-Azabicyclo[2.2.2]octan-5-one, 3-(3-chlorophenyl)-2-(4-methoxyphenyl)-, (1S,3S,4R)- [ACD/Index 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: 519.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.2±3.0 kJ/mol
Flash Point: 268.1±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 94.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 3.34
ACD/BCF (pH 5.5): 196.96
ACD/KOC (pH 5.5): 1483.27
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.03
ACD/KOC (pH 7.4): 1641.91
Polar Surface Area: 30 Å2
Polarizability: 37.5±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 274.8±3.0 cm3

Click to predict properties on the Chemicalize site


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