ChemSpider 2D Image | 3-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-methylbenzenesulfonate | C25H23N3O4S

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

  • Molecular FormulaC25H23N3O4S
  • Average mass461.533 Da
  • Monoisotopic mass461.140930 Da
  • ChemSpider ID30655118

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl 4-methylbenzenesulfonate [ACD/IUPAC Name]
3-{(Z)-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino]methyl}phenyl-4-methylbenzolsulfonat [German] [ACD/IUPAC Name]
3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-4-[[(1Z)-[3-[[(4-methylphenyl)sulfonyl]oxy]phenyl]methylene]amino]-2-phenyl- [ACD/Index Name]
4-Méthylbenzènesulfonate de 3-{(Z)-[(1,5-diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)imino]méthyl}phényle [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: 618.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.6±3.0 kJ/mol
Flash Point: 327.5±34.3 °C
Index of Refraction: 1.623
Molar Refractivity: 130.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 7.30
ACD/KOC (pH 5.5): 52.37
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 156.04
ACD/KOC (pH 7.4): 1118.80
Polar Surface Area: 88 Å2
Polarizability: 51.5±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 368.4±7.0 cm3

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