ChemSpider 2D Image | Ethyl 4-[(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(2-methoxyethyl)amino]-4-oxobutanoate | C28H34FN3O5

Ethyl 4-[(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(2-methoxyethyl)amino]-4-oxobutanoate

  • Molecular FormulaC28H34FN3O5
  • Average mass511.585 Da
  • Monoisotopic mass511.248260 Da
  • ChemSpider ID4242388

More details:

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

4-[(2-{(4-Fluorobenzyl)[2-(1H-indol-3-yl)éthyl]amino}-2-oxoéthyl)(2-méthoxyéthyl)amino]-4-oxobutanoate d'éthyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[2-[[(4-fluorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl](2-methoxyethyl)amino]-4-oxo-, ethyl ester [ACD/Index Name]
Ethyl 4-[(2-{(4-fluorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(2-methoxyethyl)amino]-4-oxobutanoate [ACD/IUPAC Name]
Ethyl-4-[(2-{(4-fluorbenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(2-methoxyethyl)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: 700.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.5±3.0 kJ/mol
Flash Point: 377.4±32.9 °C
Index of Refraction: 1.583
Molar Refractivity: 139.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 1
ACD/LogP: 4.09
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 464.03
ACD/KOC (pH 5.5): 2820.45
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 464.03
ACD/KOC (pH 7.4): 2820.45
Polar Surface Area: 92 Å2
Polarizability: 55.2±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 416.3±3.0 cm3

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