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Search term: MSBRPRDXQDUAER (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Methyl 5-{[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino}-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C34H38N4O6

Methyl 5-{[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino}-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC34H38N4O6
  • Average mass598.689 Da
  • Monoisotopic mass598.279114 Da
  • ChemSpider ID22125271

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-[[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-1-(3-phenylpropyl)-3-[[(tetrahydro-3-furanyl)carbonyl]amino]-, methyl ester [ACD/Index Name]
5-{[3-(1,3-Benzodioxol-5-yl)-2-méthylpropyl]amino}-1-(3-phénylpropyl)-3-[(tétrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-{[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino}-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-{[3-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino}-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)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: 1.3±0.1 g/cm3
Boiling Point: 837.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.7±3.0 kJ/mol
Flash Point: 460.3±34.3 °C
Index of Refraction: 1.647
Molar Refractivity: 164.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 6.09
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 6960.90
ACD/KOC (pH 5.5): 18488.04
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8518.65
ACD/KOC (pH 7.4): 22625.39
Polar Surface Area: 113 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 50.7±7.0 dyne/cm
Molar Volume: 451.4±7.0 cm3

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