ChemSpider 2D Image | 1-(2,3-Dimethylphenyl)-5-{4-(isobutyrylamino)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid | C26H32N4O7S

1-(2,3-Dimethylphenyl)-5-{4-(isobutyrylamino)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC26H32N4O7S
  • Average mass544.620 Da
  • Monoisotopic mass544.199158 Da
  • ChemSpider ID29267900

More details:

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

1-(2,3-Dimethylphenyl)-5-{4-(isobutyrylamino)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
1-(2,3-Dimethylphenyl)-5-{4-(isobutyrylamino)-2-[(2-methoxyethyl)sulfamoyl]phenoxy}-4-methyl-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
1H-Pyrazole-3-carboxylic acid, 1-(2,3-dimethylphenyl)-5-[2-[[(2-methoxyethyl)amino]sulfonyl]-4-[(2-methyl-1-oxopropyl)amino]phenoxy]-4-methyl- [ACD/Index Name]
Acide 1-(2,3-diméthylphényl)-5-{4-(isobutyrylamino)-2-[(2-méthoxyéthyl)sulfamoyl]phénoxy}-4-méthyl-1H-pyrazole-3-carboxylique [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.609
Molar Refractivity: 141.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 1.83
ACD/BCF (pH 5.5): 5.00
ACD/KOC (pH 5.5): 31.61
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.19
Polar Surface Area: 157 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 409.8±7.0 cm3

Click to predict properties on the Chemicalize site


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