ChemSpider 2D Image | 4-[(R)-{(2S,5R)-2,5-Dimethyl-4-[(2,3-~3~H_2_)propyl]-1-piperazinyl}(3-methoxyphenyl)methyl]-N,N-diethylbenzamide | C28H39T2N3O2

4-[(R)-{(2S,5R)-2,5-Dimethyl-4-[(2,3-3H2)propyl]-1-piperazinyl}(3-methoxyphenyl)methyl]-N,N-diethylbenzamide

  • Molecular FormulaC28H39T2N3O2
  • Average mass455.660 Da
  • Monoisotopic mass455.336334 Da
  • ChemSpider ID8917743

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

4-[(R)-{(2S,5R)-2,5-Dimethyl-4-[(2,3-3H2)propyl]-1-piperazinyl}(3-methoxyphenyl)methyl]-N,N-diethylbenzamid [German] [ACD/IUPAC Name]
4-[(R)-{(2S,5R)-2,5-Dimethyl-4-[(2,3-3H2)propyl]-1-piperazinyl}(3-methoxyphenyl)methyl]-N,N-diethylbenzamide [ACD/IUPAC Name]
4-[(R)-{(2S,5R)-2,5-Diméthyl-4-[(2,3-3H2)propyl]-1-pipérazinyl}(3-méthoxyphényl)méthyl]-N,N-diéthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[(R)-[(2S,5R)-2,5-dimethyl-4-(propyl-2,3-t2)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethyl- [ACD/Index Name]

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

Density:
Boiling Point: 566.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.1±3.0 kJ/mol
Flash Point: 296.5±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 11.87
ACD/LogD (pH 7.4): 3.27
ACD/BCF (pH 7.4): 112.62
ACD/KOC (pH 7.4): 591.68
Polar Surface Area: 36 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


Advertisement