ChemSpider 2D Image | 4-{[(5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](3-methoxyphenyl)methyl}-N,N-diethylbenzamide | C28H39N3O2

4-{[(5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](3-methoxyphenyl)methyl}-N,N-diethylbenzamide

  • Molecular FormulaC28H39N3O2
  • Average mass449.628 Da
  • Monoisotopic mass449.304230 Da
  • ChemSpider ID29788072

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

4-{[(5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](3-methoxyphenyl)methyl}-N,N-diethylbenzamid [German] [ACD/IUPAC Name]
4-{[(5R)-4-Allyl-2,5-dimethyl-1-piperazinyl](3-methoxyphenyl)methyl}-N,N-diethylbenzamide [ACD/IUPAC Name]
4-{[(5R)-4-Allyl-2,5-diméthyl-1-pipérazinyl](3-méthoxyphényl)méthyl}-N,N-diéthylbenzamide [French] [ACD/IUPAC Name]
Benzamide, 4-[[(5R)-2,5-dimethyl-4-(2-propen-1-yl)-1-piperazinyl](3-methoxyphenyl)methyl]-N,N-diethyl- [ACD/Index Name]
(+)-4-[(a-R)-a-((2S,5R)-4-Allyl-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl]-N,N-diethylbenzamide
156727-74-1 [RN]

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

SNC 80 [DBID]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 564.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.9±3.0 kJ/mol
Flash Point: 295.4±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 136.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 12.39
ACD/KOC (pH 5.5): 66.19
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 414.20
ACD/KOC (pH 7.4): 2212.74
Polar Surface Area: 36 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 38.0±3.0 dyne/cm
Molar Volume: 432.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement