ChemSpider 2D Image | Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-{[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]amino}-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate | C33H35N5O5

Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-{[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]amino}-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate

  • Molecular FormulaC33H35N5O5
  • Average mass581.661 Da
  • Monoisotopic mass581.263794 Da
  • ChemSpider ID22859591

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[2-(1H-Indol-3-yl)éthyl]-5-{[(2E)-3-(4-méthoxyphényl)-2-propén-1-yl]amino}-3-[(3-méthoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-b]pyridine-2-carboxylic acid, 1-[2-(1H-indol-3-yl)ethyl]-3-[(3-methoxy-1-oxopropyl)amino]-5-[[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]amino]-, methyl ester [ACD/Index Name]
Methyl 1-[2-(1H-indol-3-yl)ethyl]-5-{[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]amino}-3-[(3-methoxypropanoyl)amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate [ACD/IUPAC Name]
Methyl-1-[2-(1H-indol-3-yl)ethyl]-5-{[(2E)-3-(4-methoxyphenyl)-2-propen-1-yl]amino}-3-[(3-methoxypropanoyl)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: 875.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.2±3.0 kJ/mol
Flash Point: 483.1±34.3 °C
Index of Refraction: 1.626
Molar Refractivity: 163.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11276.73
ACD/KOC (pH 5.5): 26376.57
ACD/LogD (pH 7.4): 5.73
ACD/BCF (pH 7.4): 13328.82
ACD/KOC (pH 7.4): 31176.46
Polar Surface Area: 120 Å2
Polarizability: 64.8±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 461.3±7.0 cm3

Click to predict properties on the Chemicalize site


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