ChemSpider 2D Image | 4-[(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarbaldehyde | C23H32N6O4S

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

  • Molecular FormulaC23H32N6O4S
  • Average mass488.603 Da
  • Monoisotopic mass488.220581 Da
  • ChemSpider ID27317937

More details:

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

1-Piperazinecarboxaldehyde, 4-[[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl]carbonyl]- [ACD/Index Name]
4-[(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazincarbaldehyd [German] [ACD/IUPAC Name]
4-[(3-{[4-(2,3-Dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-piperazinecarbaldehyde [ACD/IUPAC Name]
4-[(3-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)carbonyl]-1-pipérazinecarbaldéhyde [French] [ACD/IUPAC Name]
4-[(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]piperazine-1-carbaldehyde

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

Density: 1.4±0.1 g/cm3
Boiling Point: 759.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.6±3.0 kJ/mol
Flash Point: 413.1±35.7 °C
Index of Refraction: 1.656
Molar Refractivity: 132.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.64
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.35
ACD/KOC (pH 5.5): 36.67
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.37
ACD/KOC (pH 7.4): 64.34
Polar Surface Area: 107 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 359.3±7.0 cm3

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