ChemSpider 2D Image | 4-[(Z)-{4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one | C27H26ClN3O3

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

  • Molecular FormulaC27H26ClN3O3
  • Average mass475.967 Da
  • Monoisotopic mass475.166260 Da
  • ChemSpider ID30654980

  • 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)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylene]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-[(Z)-{4-[(4-Chlorbenzyl)oxy]-3-ethoxybenzyliden}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-on [German] [ACD/IUPAC Name]
4-[(Z)-{4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzylidene}amino]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one [ACD/IUPAC Name]
4-[(Z)-{4-[(4-Chlorobenzyl)oxy]-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: 1.2±0.1 g/cm3
Boiling Point: 596.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.9±3.0 kJ/mol
Flash Point: 314.6±32.9 °C
Index of Refraction: 1.600
Molar Refractivity: 135.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.19
ACD/LogD (pH 5.5): 3.07
ACD/BCF (pH 5.5): 47.10
ACD/KOC (pH 5.5): 170.53
ACD/LogD (pH 7.4): 4.39
ACD/BCF (pH 7.4): 997.62
ACD/KOC (pH 7.4): 3612.37
Polar Surface Area: 54 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 43.3±7.0 dyne/cm
Molar Volume: 396.0±7.0 cm3

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