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

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

  • Molecular FormulaC24H36N6O3S
  • Average mass488.646 Da
  • Monoisotopic mass488.256958 Da
  • ChemSpider ID27317936

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-methyl-1,4-diazepan-1-yl)methanon [German] [ACD/IUPAC Name]
(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanone [ACD/IUPAC Name]
(3-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)(4-méthyl-1,4-diazépan-1-yl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl](hexahydro-4-methyl-1H-1,4-diazepin-1-yl)- [ACD/Index Name]
(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-methyl-1,4-diazepan-1-yl)methanone
{3-[4-(2,3-Dimethyl-phenyl)-piperazine-1-sulfonyl]-1-ethyl-1H-pyrazol-4-yl}-(4-methyl-[1,4]diazepan-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: 694.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.8±3.0 kJ/mol
Flash Point: 374.1±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 135.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -0.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 37.27
Polar Surface Area: 90 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 377.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement