ChemSpider 2D Image | [5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone | C29H33ClN2O2

[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone

  • Molecular FormulaC29H33ClN2O2
  • Average mass477.038 Da
  • Monoisotopic mass476.223053 Da
  • ChemSpider ID22582576

More details:






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

[5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanone [ACD/IUPAC Name]
[5-(4-Chlorophényl)-1-(4-méthoxyphényl)-2-méthyl-1H-pyrrol-3-yl](1,3,3-triméthyl-6-azabicyclo[3.2.1]oct-6-yl)méthanone [French] [ACD/IUPAC Name]
[5-(4-Chlorphenyl)-1-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)methanon [German] [ACD/IUPAC Name]
Methanone, [5-(4-chlorophenyl)-1-(4-methoxyphenyl)-2-methyl-1H-pyrrol-3-yl](1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 622.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.3±31.5 °C
Index of Refraction: 1.613
Molar Refractivity: 138.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 6.73
ACD/BCF (pH 5.5): 76813.91
ACD/KOC (pH 5.5): 109289.40
ACD/LogD (pH 7.4): 6.73
ACD/BCF (pH 7.4): 76813.99
ACD/KOC (pH 7.4): 109289.52
Polar Surface Area: 34 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 397.4±7.0 cm3

Click to predict properties on the Chemicalize site






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