ChemSpider 2D Image | [5-(Methoxycarbonyl)-2-furyl]methyl 1-[(4-ethoxyphenyl)sulfonyl]-4-piperidinecarboxylate | C21H25NO8S

[5-(Methoxycarbonyl)-2-furyl]methyl 1-[(4-ethoxyphenyl)sulfonyl]-4-piperidinecarboxylate

  • Molecular FormulaC21H25NO8S
  • Average mass451.490 Da
  • Monoisotopic mass451.130096 Da
  • ChemSpider ID21980589

More details:

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

[5-(Methoxycarbonyl)-2-furyl]methyl 1-[(4-ethoxyphenyl)sulfonyl]-4-piperidinecarboxylate [ACD/IUPAC Name]
[5-(Methoxycarbonyl)-2-furyl]methyl-1-[(4-ethoxyphenyl)sulfonyl]-4-piperidincarboxylat [German] [ACD/IUPAC Name]
1-[(4-Éthoxyphényl)sulfonyl]-4-pipéridinecarboxylate de [5-(méthoxycarbonyl)-2-furyl]méthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[(4-ethoxyphenyl)sulfonyl]-, [5-(methoxycarbonyl)-2-furanyl]methyl ester [ACD/Index Name]
[5-(METHOXYCARBONYL)FURAN-2-YL]METHYL 1-(4-ETHOXYBENZENESULFONYL)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: 598.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.1±3.0 kJ/mol
Flash Point: 315.7±32.9 °C
Index of Refraction: 1.558
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.12
ACD/BCF (pH 5.5): 139.20
ACD/KOC (pH 5.5): 1191.33
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 139.20
ACD/KOC (pH 7.4): 1191.33
Polar Surface Area: 121 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 344.3±3.0 cm3

Click to predict properties on the Chemicalize site


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