ChemSpider 2D Image | Methyl 5-[(1-acetyl-4-piperidinyl)amino]-1-(2-phenylethyl)-3-[(tetrahydro-2-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C29H35N5O5

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

  • Molecular FormulaC29H35N5O5
  • Average mass533.619 Da
  • Monoisotopic mass533.263794 Da
  • ChemSpider ID23059708

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-(2-phenylethyl)-3-[[(tetrahydro-2-furanyl)carbonyl]amino]-, methyl ester [ACD/Index Name]
5-[(1-Acétyl-4-pipéridinyl)amino]-1-(2-phényléthyl)-3-[(tétrahydro-2-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(1-acetyl-4-piperidinyl)amino]-1-(2-phenylethyl)-3-[(tetrahydro-2-furanylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-5-[(1-acetyl-4-piperidinyl)amino]-1-(2-phenylethyl)-3-[(tetrahydro-2-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: 1.4±0.1 g/cm3
Boiling Point: 830.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.9±34.3 °C
Index of Refraction: 1.658
Molar Refractivity: 145.5±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 2.79
ACD/BCF (pH 5.5): 75.69
ACD/KOC (pH 5.5): 755.30
ACD/LogD (pH 7.4): 2.81
ACD/BCF (pH 7.4): 81.03
ACD/KOC (pH 7.4): 808.53
Polar Surface Area: 115 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 53.5±7.0 dyne/cm
Molar Volume: 394.9±7.0 cm3

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