ChemSpider 2D Image | Ethyl [(2-{(3,4-dichlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)amino]acetate | C27H33Cl2N3O3

Ethyl [(2-{(3,4-dichlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)amino]acetate

  • Molecular FormulaC27H33Cl2N3O3
  • Average mass518.475 Da
  • Monoisotopic mass517.189880 Da
  • ChemSpider ID21567849

More details:

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

[(2-{(3,4-Dichlorobenzyl)[2-(1H-indol-3-yl)éthyl]amino}-2-oxoéthyl)(isobutyl)amino]acétate d'éthyle [French] [ACD/IUPAC Name]
Ethyl [(2-{(3,4-dichlorobenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)amino]acetate [ACD/IUPAC Name]
Ethyl-[(2-{(3,4-dichlorbenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)amino]acetat [German] [ACD/IUPAC Name]
Glycine, N-[2-[[(3,4-dichlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-, ethyl ester [ACD/Index 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: 666.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.9±3.0 kJ/mol
Flash Point: 356.6±31.5 °C
Index of Refraction: 1.600
Molar Refractivity: 142.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 7.00
ACD/LogD (pH 5.5): 6.03
ACD/BCF (pH 5.5): 21893.99
ACD/KOC (pH 5.5): 43275.15
ACD/LogD (pH 7.4): 6.07
ACD/BCF (pH 7.4): 24127.70
ACD/KOC (pH 7.4): 47690.25
Polar Surface Area: 66 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 50.0±3.0 dyne/cm
Molar Volume: 416.4±3.0 cm3

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