ChemSpider 2D Image | Methyl 3-(benzoylamino)-1-(2-furylmethyl)-5-({[5-(hydroxymethyl)-2-furyl]methyl}amino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C27H24N4O6

Methyl 3-(benzoylamino)-1-(2-furylmethyl)-5-({[5-(hydroxymethyl)-2-furyl]methyl}amino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC27H24N4O6
  • Average mass500.503 Da
  • Monoisotopic mass500.169586 Da
  • ChemSpider ID22123648

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 3-(benzoylamino)-1-(2-furanylmethyl)-5-[[[5-(hydroxymethyl)-2-furanyl]methyl]amino]-, methyl ester [ACD/Index Name]
3-(Benzoylamino)-1-(2-furylméthyl)-5-({[5-(hydroxyméthyl)-2-furyl]méthyl}amino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-(benzoylamino)-1-(2-furylmethyl)-5-({[5-(hydroxymethyl)-2-furyl]methyl}amino)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-3-(benzoylamino)-1-(2-furylmethyl)-5-({[5-(hydroxymethyl)-2-furyl]methyl}amino)-1H-pyrrolo[2,3-b]pyridin-2-carboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.668
Molar Refractivity: 133.9±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 186.92
ACD/KOC (pH 5.5): 1414.66
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 214.14
ACD/KOC (pH 7.4): 1620.64
Polar Surface Area: 132 Å2
Polarizability: 53.1±0.5 10-24cm3
Surface Tension: 56.0±7.0 dyne/cm
Molar Volume: 359.4±7.0 cm3

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