ChemSpider 2D Image | (3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-isopropyl-1-piperazinyl)methanone | C24H36N6O3S

(3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-isopropyl-1-piperazinyl)methanone

  • Molecular FormulaC24H36N6O3S
  • Average mass488.646 Da
  • Monoisotopic mass488.256958 Da
  • ChemSpider ID27317581

More details:

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

(3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-isopropyl-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
(3-{[4-(2,5-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-isopropyl-1-piperazinyl)methanone [ACD/IUPAC Name]
(3-{[4-(2,5-Diméthylphényl)-1-pipérazinyl]sulfonyl}-1-méthyl-1H-pyrazol-4-yl)(4-isopropyl-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(2,5-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-methyl-1H-pyrazol-4-yl][4-(1-methylethyl)-1-piperazinyl]- [ACD/Index Name]
(3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)[4-(propan-2-yl)piperazin-1-yl]methanone
{3-[4-(2,5-Dimethyl-phenyl)-piperazine-1-sulfonyl]-1-methyl-1H-pyrazol-4-yl}-(4-isopropyl-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: 685.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 368.3±34.3 °C
Index of Refraction: 1.639
Molar Refractivity: 135.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): -0.31
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 7.41
ACD/KOC (pH 7.4): 112.90
Polar Surface Area: 90 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 50.1±7.0 dyne/cm
Molar Volume: 376.4±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement