ChemSpider 2D Image | N-(5-Bromo-2-fluorobenzyl)-N-ethyl-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide | C22H26BrFN4O2

N-(5-Bromo-2-fluorobenzyl)-N-ethyl-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide

  • Molecular FormulaC22H26BrFN4O2
  • Average mass477.370 Da
  • Monoisotopic mass476.122314 Da
  • ChemSpider ID33691132

More details:

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

1H-Pyrazolo[3,4-b]pyridine-5-propanamide, N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-3-methoxy-1,4,6-trimethyl- [ACD/Index Name]
N-(5-Brom-2-fluorbenzyl)-N-ethyl-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamid [German] [ACD/IUPAC Name]
N-(5-Bromo-2-fluorobenzyl)-N-ethyl-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide [ACD/IUPAC Name]
N-(5-Bromo-2-fluorobenzyl)-N-éthyl-3-(3-méthoxy-1,4,6-triméthyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide [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: 606.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.2±3.0 kJ/mol
Flash Point: 320.6±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 119.1±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.50
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 203.69
ACD/KOC (pH 5.5): 975.29
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1018.66
ACD/KOC (pH 7.4): 4877.44
Polar Surface Area: 60 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 41.1±7.0 dyne/cm
Molar Volume: 346.9±7.0 cm3

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