ChemSpider 2D Image | Methyl 1-benzyl-5-[(2,3-dimethoxybenzyl)amino]-3-[(3-pyridinylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C31H29N5O5

Methyl 1-benzyl-5-[(2,3-dimethoxybenzyl)amino]-3-[(3-pyridinylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC31H29N5O5
  • Average mass551.593 Da
  • Monoisotopic mass551.216858 Da
  • ChemSpider ID22215232

More details:

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

1-Benzyl-5-[(2,3-diméthoxybenzyl)amino]-3-[(3-pyridinylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-[[(2,3-dimethoxyphenyl)methyl]amino]-1-(phenylmethyl)-3-[(3-pyridinylcarbonyl)amino]-, methyl ester [ACD/Index Name]
Methyl 1-benzyl-5-[(2,3-dimethoxybenzyl)amino]-3-[(3-pyridinylcarbonyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-1-benzyl-5-[(2,3-dimethoxybenzyl)amino]-3-[(3-pyridinylcarbonyl)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: 705.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.2±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 154.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1892.46
ACD/KOC (pH 5.5): 7538.29
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2050.07
ACD/KOC (pH 7.4): 8166.10
Polar Surface Area: 117 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 49.2±7.0 dyne/cm
Molar Volume: 429.2±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement