ChemSpider 2D Image | Ethyl 4-{[5-{[(benzyloxy)carbonyl]amino}-6-(4-benzyl-1-piperidinyl)-6-oxohexyl]amino}-4-oxobutanoate | C32H43N3O6

Ethyl 4-{[5-{[(benzyloxy)carbonyl]amino}-6-(4-benzyl-1-piperidinyl)-6-oxohexyl]amino}-4-oxobutanoate

  • Molecular FormulaC32H43N3O6
  • Average mass565.700 Da
  • Monoisotopic mass565.315186 Da
  • ChemSpider ID22589738

More details:

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

4-{[5-{[(Benzyloxy)carbonyl]amino}-6-(4-benzyl-1-pipéridinyl)-6-oxohexyl]amino}-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-oxo-4-[[6-oxo-5-[[(phenylmethoxy)carbonyl]amino]-6-[4-(phenylmethyl)-1-piperidinyl]hexyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[5-{[(benzyloxy)carbonyl]amino}-6-(4-benzyl-1-piperidinyl)-6-oxohexyl]amino}-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-{[5-{[(benzyloxy)carbonyl]amino}-6-(4-benzyl-1-piperidinyl)-6-oxohexyl]amino}-4-oxobutanoat [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: 780.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 113.5±3.0 kJ/mol
Flash Point: 425.6±32.9 °C
Index of Refraction: 1.552
Molar Refractivity: 155.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 1
ACD/LogP: 4.78
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1119.53
ACD/KOC (pH 5.5): 5297.85
ACD/LogD (pH 7.4): 4.31
ACD/BCF (pH 7.4): 1119.38
ACD/KOC (pH 7.4): 5297.13
Polar Surface Area: 114 Å2
Polarizability: 61.8±0.5 10-24cm3
Surface Tension: 48.8±3.0 dyne/cm
Molar Volume: 487.9±3.0 cm3

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