ChemSpider 2D Image | Methyl 5-[(3-hydroxy-3-methyl-2-butanyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C29H35N5O5

Methyl 5-[(3-hydroxy-3-methyl-2-butanyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID22154613

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-[(2-hydroxy-1,2-dimethylpropyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-3-[[(tetrahydro-3-furanyl)carbonyl]amino]-, methyl ester [ACD/Index Name]
5-[(3-Hydroxy-3-méthyl-2-butanyl)amino]-1-[2-(1H-indol-3-yl)éthyl]-3-[(tétrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(3-hydroxy-3-methyl-2-butanyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-[(3-hydroxy-3-methyl-2-butanyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 5-[(2-hydroxy-1,2-dimethylpropyl)amino]-1-[2-(1H-indol-3-yl)ethyl]-3-[(tetrahydro-3-furanylcarbonyl)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: 1.4±0.1 g/cm3
Boiling Point: 848.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.1±3.0 kJ/mol
Flash Point: 466.7±34.3 °C
Index of Refraction: 1.659
Molar Refractivity: 144.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.06
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 222.84
ACD/KOC (pH 5.5): 1566.32
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.42
ACD/KOC (pH 7.4): 1949.93
Polar Surface Area: 131 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 51.9±7.0 dyne/cm
Molar Volume: 392.5±7.0 cm3

Click to predict properties on the Chemicalize site


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