ChemSpider 2D Image | 4-[(Z)-{2-[(4-Chlorobenzyl)oxy]benzylidene}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C25H22ClN3O2

4-[(Z)-{2-[(4-Chlorobenzyl)oxy]benzylidene}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

  • Molecular FormulaC25H22ClN3O2
  • Average mass431.914 Da
  • Monoisotopic mass431.140045 Da
  • ChemSpider ID30655080

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 4-[[(1Z)-[2-[(4-chlorophenyl)methoxy]phenyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(Z)-{2-[(4-Chlorbenzyl)oxy]benzyliden}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(Z)-{2-[(4-Chlorobenzyl)oxy]benzylidene}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(Z)-{2-[(4-Chlorobenzyl)oxy]benzylidène}amino]-1,5-diméthyl-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 571.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.7±3.0 kJ/mol
Flash Point: 299.4±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 125.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 32.66
ACD/KOC (pH 5.5): 127.28
ACD/LogD (pH 7.4): 4.16
ACD/BCF (pH 7.4): 628.31
ACD/KOC (pH 7.4): 2448.57
Polar Surface Area: 45 Å2
Polarizability: 49.6±0.5 10-24cm3
Surface Tension: 44.8±7.0 dyne/cm
Molar Volume: 358.3±7.0 cm3

Click to predict properties on the Chemicalize site


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