ChemSpider 2D Image | N-[1-(4-Benzyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-2,5-dimethylbenzenesulfonamide | C24H33N3O3S2

N-[1-(4-Benzyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-2,5-dimethylbenzenesulfonamide

  • Molecular FormulaC24H33N3O3S2
  • Average mass475.667 Da
  • Monoisotopic mass475.196320 Da
  • ChemSpider ID22073747

More details:






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

Benzenesulfonamide, 2,5-dimethyl-N-[3-(methylthio)-1-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]propyl]- [ACD/Index Name]
N-[1-(4-Benzyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-2,5-dimethylbenzenesulfonamide [ACD/IUPAC Name]
N-[1-(4-Benzyl-1-pipérazinyl)-4-(méthylsulfanyl)-1-oxo-2-butanyl]-2,5-diméthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[1-(4-Benzyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-2,5-dimethylbenzolsulfonamid [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.9±34.3 °C
Index of Refraction: 1.600
Molar Refractivity: 133.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.37
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 318.70
ACD/KOC (pH 5.5): 1732.37
ACD/LogD (pH 7.4): 4.03
ACD/BCF (pH 7.4): 669.89
ACD/KOC (pH 7.4): 3641.31
Polar Surface Area: 103 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 389.5±3.0 cm3

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