ChemSpider 2D Image | N-{3-(Benzylsulfanyl)-1-[4-(2,2-dimethylpropyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,3,4-trifluorobenzamide | C26H32F3N3O2S

N-{3-(Benzylsulfanyl)-1-[4-(2,2-dimethylpropyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,3,4-trifluorobenzamide

  • Molecular FormulaC26H32F3N3O2S
  • Average mass507.611 Da
  • Monoisotopic mass507.216736 Da
  • ChemSpider ID122284527

More details:

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

Benzamide, N-[2-[4-(2,2-dimethylpropyl)-1-piperazinyl]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-2,3,4-trifluoro- [ACD/Index Name]
N-{3-(Benzylsulfanyl)-1-[4-(2,2-dimethylpropyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,3,4-trifluorbenzamid [German] [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[4-(2,2-dimethylpropyl)-1-piperazinyl]-1-oxo-2-propanyl}-2,3,4-trifluorobenzamide [ACD/IUPAC Name]
N-{3-(Benzylsulfanyl)-1-[4-(2,2-diméthylpropyl)-1-pipérazinyl]-1-oxo-2-propanyl}-2,3,4-trifluorobenzamide [French] [ACD/IUPAC 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: 597.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.9±30.1 °C
Index of Refraction: 1.558
Molar Refractivity: 132.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 121.67
ACD/KOC (pH 5.5): 538.02
ACD/LogD (pH 7.4): 4.40
ACD/BCF (pH 7.4): 1251.32
ACD/KOC (pH 7.4): 5533.14
Polar Surface Area: 78 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 412.4±3.0 cm3

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