ChemSpider 2D Image | 4-{4-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzenesulfonamide | C22H32N6O5S

4-{4-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzenesulfonamide

  • Molecular FormulaC22H32N6O5S
  • Average mass492.592 Da
  • Monoisotopic mass492.215485 Da
  • ChemSpider ID22101902

More details:

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

4-{4-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzenesulfonamide [ACD/IUPAC Name]
4-{4-[3-(3,5-Diméthyl-1H-pyrazol-1-yl)propanoyl]-1-pipérazinyl}-N,N-diéthyl-3-nitrobenzènesulfonamide [French] [ACD/IUPAC Name]
4-{4-[3-(3,5-Dimethyl-1H-pyrazol-1-yl)propanoyl]-1-piperazinyl}-N,N-diethyl-3-nitrobenzolsulfonamid [German] [ACD/IUPAC Name]
Benzenesulfonamide, 4-[4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-oxopropyl]-1-piperazinyl]-N,N-diethyl-3-nitro- [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: 692.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.5±3.0 kJ/mol
Flash Point: 372.8±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 130.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 98.71
ACD/KOC (pH 5.5): 930.25
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.17
ACD/KOC (pH 7.4): 934.55
Polar Surface Area: 133 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 54.0±7.0 dyne/cm
Molar Volume: 368.2±7.0 cm3

Click to predict properties on the Chemicalize site


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