ChemSpider 2D Image | Ethyl 2,5-dimethyl-4-[(3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)sulfonyl]-1H-pyrrole-3-carboxylate | C24H33N5O5S

Ethyl 2,5-dimethyl-4-[(3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)sulfonyl]-1H-pyrrole-3-carboxylate

  • Molecular FormulaC24H33N5O5S
  • Average mass503.614 Da
  • Monoisotopic mass503.220245 Da
  • ChemSpider ID20440303

More details:

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

1H-Pyrrole-3-carboxylic acid, 2,5-dimethyl-4-[[3-[[4-(2-pyridinyl)-1-piperazinyl]carbonyl]-1-piperidinyl]sulfonyl]-, ethyl ester [ACD/Index Name]
2,5-Diméthyl-4-[(3-{[4-(2-pyridinyl)-1-pipérazinyl]carbonyl}-1-pipéridinyl)sulfonyl]-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2,5-dimethyl-4-[(3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)sulfonyl]-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-2,5-dimethyl-4-[(3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}-1-piperidinyl)sulfonyl]-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 2,5-dimethyl-4-({3-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]piperidin-1-yl}sulfonyl)-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: 769.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 419.1±35.7 °C
Index of Refraction: 1.599
Molar Refractivity: 131.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): 1.33
ACD/BCF (pH 7.4): 3.30
ACD/KOC (pH 7.4): 40.02
Polar Surface Area: 124 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 58.1±3.0 dyne/cm
Molar Volume: 383.3±3.0 cm3

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