ChemSpider 2D Image | 4-(3-Methyl-4-{[5-methyl-3-oxo-2-(4-sulfophenyl)-2,3-dihydro-1H-pyrazol-4-yl]methylene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid | C21H18N4O8S2

4-(3-Methyl-4-{[5-methyl-3-oxo-2-(4-sulfophenyl)-2,3-dihydro-1H-pyrazol-4-yl]methylene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid

  • Molecular FormulaC21H18N4O8S2
  • Average mass518.520 Da
  • Monoisotopic mass518.056580 Da
  • ChemSpider ID89455

More details:

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

4-(3-Methyl-4-{[5-methyl-3-oxo-2-(4-sulfophenyl)-2,3-dihydro-1H-pyrazol-4-yl]methylen}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzolsulfonsäure [German] [ACD/IUPAC Name]
4-(3-Methyl-4-{[5-methyl-3-oxo-2-(4-sulfophenyl)-2,3-dihydro-1H-pyrazol-4-yl]methylene}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid [ACD/IUPAC Name]
Acide 4-(3-méthyl-4-{[5-méthyl-3-oxo-2-(4-sulfophényl)-2,3-dihydro-1H-pyrazol-4-yl]méthylène}-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzènesulfonique [French] [ACD/IUPAC Name]
Benzenesulfonic acid, 4-[2,5-dihydro-3-methyl-4-[[3-methyl-5-oxo-1-(4-sulfophenyl)-1H-pyrazol-4(5H)-ylidene]methyl]-5-oxo-1H-pyrazol-1-yl]- [ACD/Index Name]
51596-04-4 [RN]
Benzenesulfonic acid, 4-[4, 5-dihydro-4-[[5-hydroxy-3-methyl-1- (4-sulfophenyl)-1H-pyrazol-4-yl ]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-

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

NSC166359 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.729
Molar Refractivity: 125.7±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -1.31
ACD/LogD (pH 5.5): -6.66
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 73.8±7.0 dyne/cm
Molar Volume: 315.1±7.0 cm3

Click to predict properties on the Chemicalize site


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