ChemSpider 2D Image | Methyl 3-[(methoxyacetyl)amino]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C28H38N4O6

Methyl 3-[(methoxyacetyl)amino]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC28H38N4O6
  • Average mass526.625 Da
  • Monoisotopic mass526.279114 Da
  • ChemSpider ID22167040

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-[(2-methoxyacetyl)amino]-5-[(3-methoxy-1,3-dimethylbutyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-, methyl ester [ACD/Index Name]
3-[(2-Méthoxyacétyl)amino]-5-[(4-méthoxy-4-méthyl-2-pentanyl)amino]-1-[2-(4-méthoxyphényl)éthyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[(methoxyacetyl)amino]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-3-[(methoxyacetyl)amino]-5-[(4-methoxy-4-methyl-2-pentanyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 3-[(methoxyacetyl)amino]-5-[(3-methoxy-1,3-dimethylbutyl)amino]-1-[2-(4-methoxyphenyl)ethyl]-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: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 395.7±32.9 °C
Index of Refraction: 1.563
Molar Refractivity: 143.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.10
ACD/BCF (pH 5.5): 741.23
ACD/KOC (pH 5.5): 3797.46
ACD/LogD (pH 7.4): 4.15
ACD/BCF (pH 7.4): 845.20
ACD/KOC (pH 7.4): 4330.09
Polar Surface Area: 113 Å2
Polarizability: 56.9±0.5 10-24cm3
Surface Tension: 40.5±7.0 dyne/cm
Molar Volume: 441.9±7.0 cm3

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