ChemSpider 2D Image | 4-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzenesulfonamide | C22H35N5O5S

4-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzenesulfonamide

  • Molecular FormulaC22H35N5O5S
  • Average mass481.609 Da
  • Monoisotopic mass481.235901 Da
  • ChemSpider ID22055078

More details:

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

4-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
4-{4-[2-(1-Azépanyl)-2-oxoéthyl]-1-pipérazinyl}-N,N-diéthyl-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
4-{4-[2-(1-Azepanyl)-2-oxoethyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, N,N-diethyl-4-[4-[2-(hexahydro-1H-azepin-1-yl)-2-oxoethyl]-1-piperazinyl]-3-nitro- [ACD/Index 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: 657.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.8±3.0 kJ/mol
Flash Point: 351.3±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 127.2±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 92.06
ACD/KOC (pH 5.5): 815.64
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 122.71
ACD/KOC (pH 7.4): 1087.18
Polar Surface Area: 118 Å2
Polarizability: 50.4±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 385.7±3.0 cm3

Click to predict properties on the Chemicalize site


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