ChemSpider 2D Image | 4-(4-Butyryl-1-piperazinyl)-N,N-diethyl-3-nitrobenzenesulfonamide | C18H28N4O5S

4-(4-Butyryl-1-piperazinyl)-N,N-diethyl-3-nitrobenzenesulfonamide

  • Molecular FormulaC18H28N4O5S
  • Average mass412.504 Da
  • Monoisotopic mass412.178040 Da
  • ChemSpider ID22076043

More details:

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

4-(4-Butyryl-1-piperazinyl)-N,N-diethyl-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
4-(4-Butyryl-1-pipérazinyl)-N,N-diéthyl-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
4-(4-Butyryl-1-piperazinyl)-N,N-diethyl-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, N,N-diethyl-3-nitro-4-[4-(1-oxobutyl)-1-piperazinyl]- [ACD/Index 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: 600.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 317.2±34.3 °C
Index of Refraction: 1.567
Molar Refractivity: 106.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 2.47
ACD/BCF (pH 5.5): 44.56
ACD/KOC (pH 5.5): 527.14
ACD/LogD (pH 7.4): 2.47
ACD/BCF (pH 7.4): 44.56
ACD/KOC (pH 7.4): 527.15
Polar Surface Area: 115 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 50.8±3.0 dyne/cm
Molar Volume: 327.4±3.0 cm3

Click to predict properties on the Chemicalize site


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