ChemSpider 2D Image | 1-(4-Methoxyphenyl)-1-oxo-2-propanyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate | C28H27N3O7S

1-(4-Methoxyphenyl)-1-oxo-2-propanyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate

  • Molecular FormulaC28H27N3O7S
  • Average mass549.595 Da
  • Monoisotopic mass549.156982 Da
  • ChemSpider ID4382215

More details:

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

1-(4-Methoxyphenyl)-1-oxo-2-propanyl 3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate [ACD/IUPAC Name]
1-(4-Methoxyphenyl)-1-oxo-2-propanyl-3-[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoat [German] [ACD/IUPAC Name]
3-[(1,5-Diméthyl-3-oxo-2-phényl-2,3-dihydro-1H-pyrazol-4-yl)sulfamoyl]benzoate de 1-(4-méthoxyphényl)-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]sulfonyl]-, 2-(4-methoxyphenyl)-1-methyl-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 734.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.9±35.7 °C
Index of Refraction: 1.664
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 83.90
ACD/KOC (pH 5.5): 706.99
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 3.83
ACD/KOC (pH 7.4): 32.26
Polar Surface Area: 131 Å2
Polarizability: 57.1±0.5 10-24cm3
Surface Tension: 68.1±5.0 dyne/cm
Molar Volume: 387.8±5.0 cm3

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