ChemSpider 2D Image | 4-{(Z)-[4-(Benzyloxy)-3-ethoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C27H27N3O3

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

  • Molecular FormulaC27H27N3O3
  • Average mass441.522 Da
  • Monoisotopic mass441.205231 Da
  • ChemSpider ID30654901

  • 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-(phenylmethoxy)phenyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-{(Z)-[4-(Benzyloxy)-3-ethoxybenzyliden]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-{(Z)-[4-(Benzyloxy)-3-ethoxybenzylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-{(Z)-[4-(Benzyloxy)-3-éthoxybenzylidène]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: 1.1±0.1 g/cm3
Boiling Point: 576.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.3±3.0 kJ/mol
Flash Point: 302.4±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.60
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 14.93
ACD/KOC (pH 5.5): 74.75
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 314.54
ACD/KOC (pH 7.4): 1575.41
Polar Surface Area: 54 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 42.4±7.0 dyne/cm
Molar Volume: 386.7±7.0 cm3

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