ChemSpider 2D Image | Methyl 5-[(3-hydroxy-3-methyl-2-butanyl)amino]-3-[(methoxyacetyl)amino]-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C22H34N4O5

Methyl 5-[(3-hydroxy-3-methyl-2-butanyl)amino]-3-[(methoxyacetyl)amino]-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC22H34N4O5
  • Average mass434.529 Da
  • Monoisotopic mass434.252930 Da
  • ChemSpider ID23058306

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]-3-[(2-methoxyacetyl)amino]-1-(3-methylbutyl)-, methyl ester [ACD/Index Name]
5-[(3-Hydroxy-3-méthyl-2-butanyl)amino]-3-[(2-méthoxyacétyl)amino]-1-(3-méthylbutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(3-hydroxy-3-methyl-2-butanyl)amino]-3-[(methoxyacetyl)amino]-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-[(3-hydroxy-3-methyl-2-butanyl)amino]-3-[(methoxyacetyl)amino]-1-(3-methylbutyl)-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]
methyl 5-[(2-hydroxy-1,2-dimethylpropyl)amino]-3-[(methoxyacetyl)amino]-1-(3-methylbutyl)-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: 656.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 350.9±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 116.5±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 78.23
ACD/KOC (pH 5.5): 751.48
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.52
ACD/KOC (pH 7.4): 888.67
Polar Surface Area: 115 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 40.6±7.0 dyne/cm
Molar Volume: 358.5±7.0 cm3

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