ChemSpider 2D Image | Ethyl 1-{N-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]norleucyl}-4-piperidinecarboxylate | C21H36N2O6S

Ethyl 1-{N-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]norleucyl}-4-piperidinecarboxylate

  • Molecular FormulaC21H36N2O6S
  • Average mass444.585 Da
  • Monoisotopic mass444.229401 Da
  • ChemSpider ID121705820

More details:

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

1-{N-[3-(1,1-Dioxydotétrahydro-3-thiophényl)propanoyl]norleucyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[1-oxo-2-[[1-oxo-3-(tetrahydro-1,1-dioxido-3-thienyl)propyl]amino]hexyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{N-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]norleucyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{N-[3-(1,1-dioxidotetrahydro-3-thiophenyl)propanoyl]norleucyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 686.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.6±3.0 kJ/mol
Flash Point: 368.8±30.1 °C
Index of Refraction: 1.516
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.81
ACD/KOC (pH 5.5): 137.43
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.81
ACD/KOC (pH 7.4): 137.43
Polar Surface Area: 118 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 45.4±3.0 dyne/cm
Molar Volume: 376.1±3.0 cm3

Click to predict properties on the Chemicalize site


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