ChemSpider 2D Image | Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-2,5-dimethylbenzyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C33H37N5O5

Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-2,5-dimethylbenzyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC33H37N5O5
  • Average mass583.677 Da
  • Monoisotopic mass583.279480 Da
  • ChemSpider ID22120903

More details:

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

1-[2-(1H-Indol-3-yl)éthyl]-5-[(4-méthoxy-2,5-diméthylbenzyl)amino]-3-[(3-méthoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-[2-(1H-indol-3-yl)ethyl]-5-[[(4-methoxy-2,5-dimethylphenyl)methyl]amino]-3-[(3-methoxy-1-oxopropyl)amino]-, methyl ester [ACD/Index Name]
Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-2,5-dimethylbenzyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-1-[2-(1H-indol-3-yl)ethyl]-5-[(4-methoxy-2,5-dimethylbenzyl)amino]-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 849.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 467.3±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 163.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.56
ACD/BCF (pH 5.5): 9510.88
ACD/KOC (pH 5.5): 23198.58
ACD/LogD (pH 7.4): 5.65
ACD/BCF (pH 7.4): 11497.06
ACD/KOC (pH 7.4): 28043.19
Polar Surface Area: 120 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 46.3±7.0 dyne/cm
Molar Volume: 459.5±7.0 cm3

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