ChemSpider 2D Image | N-[1-(4-Acetyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-4-methylbenzenesulfonamide | C18H27N3O4S2

N-[1-(4-Acetyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-4-methylbenzenesulfonamide

  • Molecular FormulaC18H27N3O4S2
  • Average mass413.555 Da
  • Monoisotopic mass413.144287 Da
  • ChemSpider ID21986112

More details:

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

Benzenesulfonamide, N-[1-[(4-acetyl-1-piperazinyl)carbonyl]-3-(methylthio)propyl]-4-methyl- [ACD/Index Name]
N-[1-(4-Acetyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-4-methylbenzenesulfonamide [ACD/IUPAC Name]
N-[1-(4-Acétyl-1-pipérazinyl)-4-(méthylsulfanyl)-1-oxo-2-butanyl]-4-méthylbenzènesulfonamide [French] [ACD/IUPAC Name]
N-[1-(4-Acetyl-1-piperazinyl)-4-(methylsulfanyl)-1-oxo-2-butanyl]-4-methylbenzolsulfonamid [German] [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: 652.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 348.4±34.3 °C
Index of Refraction: 1.581
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.12
ACD/KOC (pH 5.5): 219.71
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 12.99
ACD/KOC (pH 7.4): 217.47
Polar Surface Area: 120 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 326.2±3.0 cm3

Click to predict properties on the Chemicalize site


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