ChemSpider 2D Image | (3-{[4-(2-Chlorophenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-morpholinyl)methanone | C20H26ClN5O4S

(3-{[4-(2-Chlorophenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-morpholinyl)methanone

  • Molecular FormulaC20H26ClN5O4S
  • Average mass467.970 Da
  • Monoisotopic mass467.139404 Da
  • ChemSpider ID27317539

More details:

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

(3-{[4-(2-Chlorophenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(3-{[4-(2-Chlorophényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
(3-{[4-(2-Chlorphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
Methanone, [3-[[4-(2-chlorophenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl]-4-morpholinyl- [ACD/Index Name]
(3-{[4-(2-chlorophenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)(morpholin-4-yl)methanone
{3-[4-(2-Chloro-phenyl)-piperazine-1-sulfonyl]-1-ethyl-1H-pyrazol-4-yl}-morpholin-4-yl-methanone

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

Density: 1.5±0.1 g/cm3
Boiling Point: 688.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.1±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 119.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.05
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.74
ACD/KOC (pH 5.5): 120.60
ACD/LogD (pH 7.4): 1.32
ACD/BCF (pH 7.4): 5.92
ACD/KOC (pH 7.4): 124.21
Polar Surface Area: 96 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 320.6±7.0 cm3

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