ChemSpider 2D Image | Ethyl 4-{[(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoate | C35H42N4O6

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

  • Molecular FormulaC35H42N4O6
  • Average mass614.731 Da
  • Monoisotopic mass614.310425 Da
  • ChemSpider ID22586470

More details:

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

4-{[(2-{(3,4-Diméthoxybenzyl)[2-(1H-indol-3-yl)éthyl]amino}-2-oxoéthyl)(isobutyl)carbamoyl]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[[[2-[[(3,4-dimethoxyphenyl)methyl][2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl](2-methylpropyl)amino]carbonyl]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{[(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{[(2-{(3,4-dimethoxybenzyl)[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)(isobutyl)carbamoyl]amino}benzoat [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: 824.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 452.6±34.3 °C
Index of Refraction: 1.617
Molar Refractivity: 176.0±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.12
ACD/BCF (pH 5.5): 4590.87
ACD/KOC (pH 5.5): 14547.13
ACD/LogD (pH 7.4): 5.12
ACD/BCF (pH 7.4): 4590.82
ACD/KOC (pH 7.4): 14546.97
Polar Surface Area: 113 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 502.8±3.0 cm3

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