ChemSpider 2D Image | Ethyl 4-({2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl}sulfamoyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate | C25H36N4O5S

Ethyl 4-({2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl}sulfamoyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC25H36N4O5S
  • Average mass504.642 Da
  • Monoisotopic mass504.240631 Da
  • ChemSpider ID20440467

More details:

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

1H-Pyrrole-3-carboxylic acid, 4-[[[2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl]amino]sulfonyl]-1-ethyl-2,5-dimethyl-, ethyl ester [ACD/Index Name]
4-({2-[4-(2,3-Diméthylphényl)-1-pipérazinyl]-2-oxoéthyl}sulfamoyl)-1-éthyl-2,5-diméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-({2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl}sulfamoyl)-1-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-({2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl}sulfamoyl)-1-ethyl-2,5-dimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-[({2-[4-(2,3-dimethylphenyl)piperazino]-2-oxoethyl}amino)sulfonyl]-1-ethyl-2,5-dimethyl-1H-pyrrole-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: 716.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.7±3.0 kJ/mol
Flash Point: 387.3±35.7 °C
Index of Refraction: 1.596
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 4.01
ACD/BCF (pH 5.5): 659.83
ACD/KOC (pH 5.5): 3621.36
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 662.31
ACD/KOC (pH 7.4): 3634.97
Polar Surface Area: 109 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 402.2±7.0 cm3

Click to predict properties on the Chemicalize site


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