ChemSpider 2D Image | Ethyl 1-[(3-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarboxylate | C26H37N5O5S

Ethyl 1-[(3-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarboxylate

  • Molecular FormulaC26H37N5O5S
  • Average mass531.667 Da
  • Monoisotopic mass531.251526 Da
  • ChemSpider ID27317918

More details:

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

1-[(3-{[4-(2,3-Diméthylphényl)-1-pipérazinyl]sulfonyl}-1-éthyl-1H-pyrazol-4-yl)carbonyl]-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl]-1-ethyl-1H-pyrazol-4-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(3-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(3-{[4-(2,3-dimethylphenyl)-1-piperazinyl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]-3-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 1-[(3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl}-1-ethyl-1H-pyrazol-4-yl)carbonyl]piperidine-3-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.7±3.0 kJ/mol
Flash Point: 391.5±35.7 °C
Index of Refraction: 1.630
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.58
ACD/LogD (pH 5.5): 2.64
ACD/BCF (pH 5.5): 52.24
ACD/KOC (pH 5.5): 503.41
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 90.85
ACD/KOC (pH 7.4): 875.42
Polar Surface Area: 113 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 51.4±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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