ChemSpider 2D Image | 1,5-Dimethyl-4-{(Z)-[3-(2-phenoxyethoxy)benzylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C26H25N3O3

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

  • Molecular FormulaC26H25N3O3
  • Average mass427.495 Da
  • Monoisotopic mass427.189606 Da
  • ChemSpider ID30655054

  • Double-bond stereo - Double-bond stereo

More details:

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

1,5-Dimethyl-4-{(Z)-[3-(2-phenoxyethoxy)benzyliden]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
1,5-Dimethyl-4-{(Z)-[3-(2-phenoxyethoxy)benzylidene]amino}-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
1,5-Diméthyl-4-{(Z)-[3-(2-phénoxyéthoxy)benzylidène]amino}-2-phényl-1,2-dihydro-3H-pyrazol-3-one [French] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[[(1Z)-[3-(2-phenoxyethoxy)phenyl]methylene]amino]-2-phenyl- [ACD/Index 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: 587.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.3±32.9 °C
Index of Refraction: 1.596
Molar Refractivity: 126.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.05
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 15.46
ACD/KOC (pH 5.5): 76.61
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 325.25
ACD/KOC (pH 7.4): 1611.44
Polar Surface Area: 54 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 43.8±7.0 dyne/cm
Molar Volume: 371.6±7.0 cm3

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