ChemSpider 2D Image | N-Allyl-N-(5-bromo-2-fluorobenzyl)-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide | C23H26BrFN4O2

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

  • Molecular FormulaC23H26BrFN4O2
  • Average mass489.380 Da
  • Monoisotopic mass488.122314 Da
  • ChemSpider ID70298146

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]-3-methoxy-1,4,6-trimethyl-N-2-propen-1-yl- [ACD/Index Name]
N-Allyl-N-(5-brom-2-fluorbenzyl)-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamid [German] [ACD/IUPAC Name]
N-Allyl-N-(5-bromo-2-fluorobenzyl)-3-(3-methoxy-1,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide [ACD/IUPAC Name]
N-Allyl-N-(5-bromo-2-fluorobenzyl)-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: 1.3±0.1 g/cm3
Boiling Point: 616.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.4±3.0 kJ/mol
Flash Point: 326.5±31.5 °C
Index of Refraction: 1.597
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 3.74
ACD/BCF (pH 5.5): 274.60
ACD/KOC (pH 5.5): 1213.64
ACD/LogD (pH 7.4): 4.43
ACD/BCF (pH 7.4): 1351.63
ACD/KOC (pH 7.4): 5973.74
Polar Surface Area: 60 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 40.7±7.0 dyne/cm
Molar Volume: 362.9±7.0 cm3

Click to predict properties on the Chemicalize site


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