ChemSpider 2D Image | (3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-morpholinyl)methanone | C20H26ClN5O4S

(3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-morpholinyl)methanone

  • Molecular FormulaC20H26ClN5O4S
  • Average mass467.970 Da
  • Monoisotopic mass467.139404 Da
  • ChemSpider ID27317760

More details:

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

(3-{[4-(5-Chlor-2-methylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(3-{[4-(5-Chloro-2-methylphenyl)-1-piperazinyl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(4-morpholinyl)methanone [ACD/IUPAC Name]
(3-{[4-(5-Chloro-2-méthylphényl)-1-pipérazinyl]sulfonyl}-1-méthyl-1H-pyrazol-4-yl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
Methanone, [3-[[4-(5-chloro-2-methylphenyl)-1-piperazinyl]sulfonyl]-1-methyl-1H-pyrazol-4-yl]-4-morpholinyl- [ACD/Index Name]
(3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]sulfonyl}-1-methyl-1H-pyrazol-4-yl)(morpholin-4-yl)methanone
{3-[4-(5-Chloro-2-methyl-phenyl)-piperazine-1-sulfonyl]-1-methyl-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: 704.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.1±3.0 kJ/mol
Flash Point: 379.9±35.7 °C
Index of Refraction: 1.671
Molar Refractivity: 119.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.03
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.79
ACD/KOC (pH 5.5): 135.60
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 7.05
ACD/KOC (pH 7.4): 140.77
Polar Surface Area: 96 Å2
Polarizability: 47.4±0.5 10-24cm3
Surface Tension: 58.2±7.0 dyne/cm
Molar Volume: 319.8±7.0 cm3

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