ChemSpider 2D Image | 4-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenyl benzenesulfonate | C25H23N3O5S

4-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenyl benzenesulfonate

  • Molecular FormulaC25H23N3O5S
  • Average mass477.532 Da
  • Monoisotopic mass477.135834 Da
  • ChemSpider ID30655052

  • Double-bond stereo - Double-bond stereo

More details:

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

3H-Pyrazol-3-one, 1,2-dihydro-4-[[(1Z)-[3-methoxy-4-[(phenylsulfonyl)oxy]phenyl]methylene]amino]-1,5-dimethyl-2-phenyl- [ACD/Index Name]
4-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenyl benzenesulfonate [ACD/IUPAC Name]
4-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}-2-methoxyphenyl-benzolsulfonat [German] [ACD/IUPAC Name]
Benzènesulfonate de 4-{(Z)-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)imino]méthyl}-2-méthoxyphényle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 637.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 94.2±3.0 kJ/mol
Flash Point: 339.3±34.3 °C
Index of Refraction: 1.618
Molar Refractivity: 131.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 1.62
ACD/BCF (pH 5.5): 4.26
ACD/KOC (pH 5.5): 35.80
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 90.52
ACD/KOC (pH 7.4): 759.89
Polar Surface Area: 97 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 48.9±7.0 dyne/cm
Molar Volume: 374.8±7.0 cm3

Click to predict properties on the Chemicalize site


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