ChemSpider 2D Image | 4-{(Z)-[3-Ethoxy-4-(2-phenoxyethoxy)benzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C28H29N3O4

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

  • Molecular FormulaC28H29N3O4
  • Average mass471.548 Da
  • Monoisotopic mass471.215820 Da
  • ChemSpider ID30654984

  • 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)-[3-ethoxy-4-(2-phenoxyethoxy)phenyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-{(Z)-[3-Ethoxy-4-(2-phenoxyethoxy)benzyliden]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{(Z)-[3-Ethoxy-4-(2-phenoxyethoxy)benzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{(Z)-[3-Éthoxy-4-(2-phénoxyéthoxy)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: 612.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.3±34.3 °C
Index of Refraction: 1.583
Molar Refractivity: 136.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 17.13
ACD/KOC (pH 5.5): 82.52
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 361.17
ACD/KOC (pH 7.4): 1739.60
Polar Surface Area: 64 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 42.5±7.0 dyne/cm
Molar Volume: 409.2±7.0 cm3

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