ChemSpider 2D Image | 2-{4-Bromo-2-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(2-phenylethyl)acetamide | C34H33BrN6O3

2-{4-Bromo-2-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(2-phenylethyl)acetamide

  • Molecular FormulaC34H33BrN6O3
  • Average mass653.568 Da
  • Monoisotopic mass652.179749 Da
  • ChemSpider ID101410648

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-ethyl-3-methyl-6-(4-methylphenyl)-, 2-[(1Z)-[5-bromo-2-[2-oxo-2-[(2-phenylethyl)amino]ethoxy]phenyl]methylene]hydrazide [ACD/Index Name]
2-{4-Brom-2-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(2-phenylethyl)acetamid [German] [ACD/IUPAC Name]
2-{4-Bromo-2-[(Z)-({[1-ethyl-3-methyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)methyl]phenoxy}-N-(2-phenylethyl)acetamide [ACD/IUPAC Name]
2-{4-Bromo-2-[(Z)-({[1-éthyl-3-méthyl-6-(4-méthylphényl)-1H-pyrazolo[3,4-b]pyridin-4-yl]carbonyl}hydrazono)méthyl]phénoxy}-N-(2-phényléthyl)acétamide [French] [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 175.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12140.39
ACD/KOC (pH 5.5): 29178.45
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12071.72
ACD/KOC (pH 7.4): 29013.38
Polar Surface Area: 111 Å2
Polarizability: 69.7±0.5 10-24cm3
Surface Tension: 49.5±7.0 dyne/cm
Molar Volume: 481.6±7.0 cm3

Click to predict properties on the Chemicalize site


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