ChemSpider 2D Image | Methyl 5-[(4-hydroxy-4-methyl-2-pentanyl)amino]-1-(2-methoxyethyl)-3-[(3-phenylpropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C27H36N4O5

Methyl 5-[(4-hydroxy-4-methyl-2-pentanyl)amino]-1-(2-methoxyethyl)-3-[(3-phenylpropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC27H36N4O5
  • Average mass496.599 Da
  • Monoisotopic mass496.268585 Da
  • ChemSpider ID22182016

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-[(3-hydroxy-1,3-dimethylbutyl)amino]-1-(2-methoxyethyl)-3-[(1-oxo-3-phenylpropyl)amino]-, methyl ester [ACD/Index Name]
5-[(4-Hydroxy-4-méthyl-2-pentanyl)amino]-1-(2-méthoxyéthyl)-3-[(3-phénylpropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(4-hydroxy-4-methyl-2-pentanyl)amino]-1-(2-methoxyethyl)-3-[(3-phenylpropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-[(4-hydroxy-4-methyl-2-pentanyl)amino]-1-(2-methoxyethyl)-3-[(3-phenylpropanoyl)amino]-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 5-[(3-hydroxy-1,3-dimethylbutyl)amino]-1-(2-methoxyethyl)-3-[(3-phenylpropanoyl)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: 1.2±0.1 g/cm3
Boiling Point: 739.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.2±3.0 kJ/mol
Flash Point: 400.9±32.9 °C
Index of Refraction: 1.582
Molar Refractivity: 137.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 3.02
ACD/LogD (pH 5.5): 3.70
ACD/BCF (pH 5.5): 368.94
ACD/KOC (pH 5.5): 2311.76
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.24
ACD/KOC (pH 7.4): 2608.15
Polar Surface Area: 115 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 411.9±7.0 cm3

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