ChemSpider 2D Image | (3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-propyl-1-piperazinyl)methanone | C25H38N6O3S

(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-propyl-1-piperazinyl)methanone

  • Molecular FormulaC25H38N6O3S
  • Average mass502.673 Da
  • Monoisotopic mass502.272614 Da
  • ChemSpider ID27317927

More details:

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

(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-propyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-propyl-1-piperazinyl)methanone [ACD/IUPAC Name]
(3-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)(4-propyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl](4-propyl-1-piperazinyl)- [ACD/Index Name]
(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-propylpiperazin-1-yl)methanone
{3-[4-(2,3-Dimethyl-phenyl)-piperazine-1-sulfonyl]-1-ethyl-1H-pyrazol-4-yl}-(4-propyl-piperazin-1-yl)-methanone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 700.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.6±3.0 kJ/mol
Flash Point: 377.5±35.7 °C
Index of Refraction: 1.632
Molar Refractivity: 140.3±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.84
ACD/LogD (pH 7.4): 2.46
ACD/BCF (pH 7.4): 40.36
ACD/KOC (pH 7.4): 443.45
Polar Surface Area: 90 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 50.3±7.0 dyne/cm
Molar Volume: 393.3±7.0 cm3

Click to predict properties on the Chemicalize site


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