ChemSpider 2D Image | N-{2-[(4-Ethyl-1-piperazinyl)methyl]benzyl}-2-[(trifluoromethyl)sulfanyl]benzamide | C22H26F3N3OS

N-{2-[(4-Ethyl-1-piperazinyl)methyl]benzyl}-2-[(trifluoromethyl)sulfanyl]benzamide

  • Molecular FormulaC22H26F3N3OS
  • Average mass437.522 Da
  • Monoisotopic mass437.174866 Da
  • ChemSpider ID33591339

More details:

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

Benzamide, N-[[2-[(4-ethyl-1-piperazinyl)methyl]phenyl]methyl]-2-[(trifluoromethyl)thio]- [ACD/Index Name]
N-{2-[(4-Ethyl-1-piperazinyl)methyl]benzyl}-2-[(trifluormethyl)sulfanyl]benzamid [German] [ACD/IUPAC Name]
N-{2-[(4-Ethyl-1-piperazinyl)methyl]benzyl}-2-[(trifluoromethyl)sulfanyl]benzamide [ACD/IUPAC Name]
N-{2-[(4-Éthyl-1-pipérazinyl)méthyl]benzyl}-2-[(trifluorométhyl)sulfanyl]benzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 504.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 258.6±30.1 °C
Index of Refraction: 1.595
Molar Refractivity: 115.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 1.65
ACD/BCF (pH 5.5): 3.03
ACD/KOC (pH 5.5): 17.52
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 151.33
ACD/KOC (pH 7.4): 876.43
Polar Surface Area: 61 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 340.2±5.0 cm3

Click to predict properties on the Chemicalize site


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