ChemSpider 2D Image | Methyl 3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(4-methoxyphenyl)-2-butanyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C32H35N5O4

Methyl 3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(4-methoxyphenyl)-2-butanyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC32H35N5O4
  • Average mass553.651 Da
  • Monoisotopic mass553.268921 Da
  • ChemSpider ID22120089

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-(acetylamino)-1-[2-(1H-indol-3-yl)ethyl]-5-[[3-(4-methoxyphenyl)-1-methylpropyl]amino]-, methyl ester [ACD/Index Name]
3-Acétamido-1-[2-(1H-indol-3-yl)éthyl]-5-{[4-(4-méthoxyphényl)-2-butanyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(4-methoxyphenyl)-2-butanyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(4-methoxyphenyl)-2-butanyl]amino}-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 3-(acetylamino)-1-[2-(1H-indol-3-yl)ethyl]-5-{[3-(4-methoxyphenyl)-1-methylpropyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 844.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.7±3.0 kJ/mol
Flash Point: 464.6±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 5.65
ACD/BCF (pH 5.5): 11199.07
ACD/KOC (pH 5.5): 26285.97
ACD/LogD (pH 7.4): 5.72
ACD/BCF (pH 7.4): 13168.14
ACD/KOC (pH 7.4): 30907.69
Polar Surface Area: 110 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 438.0±7.0 cm3

Click to predict properties on the Chemicalize site


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