ChemSpider 2D Image | Ethyl 4-{[4-(cyclooctylcarbamoyl)-1-piperidinyl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate | C24H39N3O5S

Ethyl 4-{[4-(cyclooctylcarbamoyl)-1-piperidinyl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate

  • Molecular FormulaC24H39N3O5S
  • Average mass481.649 Da
  • Monoisotopic mass481.261047 Da
  • ChemSpider ID29056185

More details:

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

1H-Pyrrole-3-carboxylic acid, 4-[[4-[(cyclooctylamino)carbonyl]-1-piperidinyl]sulfonyl]-1,2,5-trimethyl-, ethyl ester [ACD/Index Name]
4-{[4-(Cyclooctylcarbamoyl)-1-pipéridinyl]sulfonyl}-1,2,5-triméthyl-1H-pyrrole-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-{[4-(cyclooctylcarbamoyl)-1-piperidinyl]sulfonyl}-1,2,5-trimethyl-1H-pyrrole-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-{[4-(cyclooctylcarbamoyl)-1-piperidinyl]sulfonyl}-1,2,5-trimethyl-1H-pyrrol-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 4-({4-[(cyclooctylamino)carbonyl]piperidin-1-yl}sulfonyl)-1,2,5-trimethyl-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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 128.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.34
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1815.37
ACD/KOC (pH 5.5): 7487.98
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 1815.37
ACD/KOC (pH 7.4): 7487.99
Polar Surface Area: 106 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 46.7±7.0 dyne/cm
Molar Volume: 377.2±7.0 cm3

Click to predict properties on the Chemicalize site


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