ChemSpider 2D Image | (3E)-1-Allyl-3-[(2E)-{[5-(4-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methylene}hydrazono]-1,3-dihydro-2H-indol-2-one | C28H22FN5O2

(3E)-1-Allyl-3-[(2E)-{[5-(4-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methylene}hydrazono]-1,3-dihydro-2H-indol-2-one

  • Molecular FormulaC28H22FN5O2
  • Average mass479.505 Da
  • Monoisotopic mass479.175751 Da
  • ChemSpider ID22830935

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-1-Allyl-3-[(2E)-{[5-(4-fluorophenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methylene}hydrazono]-1,3-dihydro-2H-indol-2-one [ACD/IUPAC Name]
(3E)-1-Allyl-3-[(2E)-{[5-(4-fluorophénoxy)-3-méthyl-1-phényl-1H-pyrazol-4-yl]méthylène}hydrazono]-1,3-dihydro-2H-indol-2-one [French] [ACD/IUPAC Name]
(3E)-1-Allyl-3-[(2E)-{[5-(4-fluorphenoxy)-3-methyl-1-phenyl-1H-pyrazol-4-yl]methylen}hydrazono]-1,3-dihydro-2H-indol-2-on [German] [ACD/IUPAC Name]
1H-Pyrazole-4-carboxaldehyde, 5-(4-fluorophenoxy)-3-methyl-1-phenyl-, 4-[2-[(3E)-1,2-dihydro-2-oxo-1-(2-propen-1-yl)-3H-indol-3-ylidene]hydrazone] [ACD/Index 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: 620.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.9±3.0 kJ/mol
Flash Point: 329.0±34.3 °C
Index of Refraction: 1.643
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 7.22
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17710.58
ACD/KOC (pH 5.5): 38065.46
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 17987.69
ACD/KOC (pH 7.4): 38661.05
Polar Surface Area: 72 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 47.3±7.0 dyne/cm
Molar Volume: 380.8±7.0 cm3

Click to predict properties on the Chemicalize site


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