ChemSpider 2D Image | Ethyl 4-[(5-{[(benzyloxy)carbonyl]amino}-6-[4-(diphenylmethyl)-1-piperazinyl]-6-oxohexyl)amino]-4-oxobutanoate | C37H46N4O6

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

  • Molecular FormulaC37H46N4O6
  • Average mass642.784 Da
  • Monoisotopic mass642.341736 Da
  • ChemSpider ID22589621

More details:

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

4-[(5-{[(Benzyloxy)carbonyl]amino}-6-[4-(diphénylméthyl)-1-pipérazinyl]-6-oxohexyl)amino]-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[6-[4-(diphenylmethyl)-1-piperazinyl]-6-oxo-5-[[(phenylmethoxy)carbonyl]amino]hexyl]amino]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(5-{[(benzyloxy)carbonyl]amino}-6-[4-(diphenylmethyl)-1-piperazinyl]-6-oxohexyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(5-{[(benzyloxy)carbonyl]amino}-6-[4-(diphenylmethyl)-1-piperazinyl]-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: 831.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 456.5±34.3 °C
Index of Refraction: 1.574
Molar Refractivity: 179.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.70
ACD/LogD (pH 5.5): 4.37
ACD/BCF (pH 5.5): 1131.64
ACD/KOC (pH 5.5): 4858.94
ACD/LogD (pH 7.4): 4.51
ACD/BCF (pH 7.4): 1568.30
ACD/KOC (pH 7.4): 6733.85
Polar Surface Area: 117 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 542.8±3.0 cm3

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