ChemSpider 2D Image | Methyl 3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(trifluoromethyl)benzyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C29H26F3N5O3

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

  • Molecular FormulaC29H26F3N5O3
  • Average mass549.544 Da
  • Monoisotopic mass549.198792 Da
  • ChemSpider ID22109660

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-[[[4-(trifluoromethyl)phenyl]methyl]amino]-, methyl ester [ACD/Index Name]
3-Acétamido-1-[2-(1H-indol-3-yl)éthyl]-5-{[4-(trifluorométhyl)benzyl]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-(trifluoromethyl)benzyl]amino}-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-3-acetamido-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(trifluormethyl)benzyl]amino}-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 3-(acetylamino)-1-[2-(1H-indol-3-yl)ethyl]-5-{[4-(trifluoromethyl)benzyl]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: 792.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.2±3.0 kJ/mol
Flash Point: 433.0±32.9 °C
Index of Refraction: 1.633
Molar Refractivity: 142.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11465.11
ACD/KOC (pH 5.5): 27161.20
ACD/LogD (pH 7.4): 5.70
ACD/BCF (pH 7.4): 12755.60
ACD/KOC (pH 7.4): 30218.42
Polar Surface Area: 101 Å2
Polarizability: 56.5±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 399.1±7.0 cm3

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