ChemSpider 2D Image | Methyl 5-[(1-acetyl-4-piperidinyl)amino]-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C30H37N5O5

Methyl 5-[(1-acetyl-4-piperidinyl)amino]-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC30H37N5O5
  • Average mass547.645 Da
  • Monoisotopic mass547.279480 Da
  • ChemSpider ID22192580

More details:

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

1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-[(1-acetyl-4-piperidinyl)amino]-1-(3-phenylpropyl)-3-[[(tetrahydro-3-furanyl)carbonyl]amino]-, methyl ester [ACD/Index Name]
5-[(1-Acétyl-4-pipéridinyl)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-[(1-acetyl-4-piperidinyl)amino]-1-(3-phenylpropyl)-3-[(tetrahydro-3-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-[(1-acetyl-4-piperidinyl)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: 833.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 457.7±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 150.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.10
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 178.82
ACD/KOC (pH 5.5): 1391.69
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 194.23
ACD/KOC (pH 7.4): 1511.63
Polar Surface Area: 115 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 52.6±7.0 dyne/cm
Molar Volume: 410.9±7.0 cm3

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