ChemSpider 2D Image | Ethyl 1-[(1-{[4-(ethoxycarbonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]sulfonyl}-3-piperidinyl)carbonyl]-4-piperidinecarboxylate | C24H37N3O7S

Ethyl 1-[(1-{[4-(ethoxycarbonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]sulfonyl}-3-piperidinyl)carbonyl]-4-piperidinecarboxylate

  • Molecular FormulaC24H37N3O7S
  • Average mass511.632 Da
  • Monoisotopic mass511.235229 Da
  • ChemSpider ID20440328

More details:

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

1-[(1-{[4-(Éthoxycarbonyl)-1,2,5-triméthyl-1H-pyrrol-3-yl]sulfonyl}-3-pipéridinyl)carbonyl]-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[1-[[4-(ethoxycarbonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]sulfonyl]-3-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-[(1-{[4-(ethoxycarbonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]sulfonyl}-3-piperidinyl)carbonyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-[(1-{[4-(ethoxycarbonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]sulfonyl}-3-piperidinyl)carbonyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
ethyl 1-[(1-{[4-(ethoxycarbonyl)-1,2,5-trimethyl-1H-pyrrol-3-yl]sulfonyl}piperidin-3-yl)carbonyl]piperidine-4-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: 682.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.3±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 131.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.98
ACD/LogD (pH 5.5): 2.88
ACD/BCF (pH 5.5): 91.00
ACD/KOC (pH 5.5): 878.77
ACD/LogD (pH 7.4): 2.88
ACD/BCF (pH 7.4): 91.00
ACD/KOC (pH 7.4): 878.77
Polar Surface Area: 124 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 48.3±7.0 dyne/cm
Molar Volume: 386.1±7.0 cm3

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