ChemSpider 2D Image | 5-{2-[(1,3-Benzodioxol-5-ylmethyl)sulfamoyl]-4-(isobutyrylamino)phenoxy}-4-methyl-1-(2-methyl-2-propanyl)-1H-pyrazole-3-carboxylic acid | C27H32N4O8S

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

  • Molecular FormulaC27H32N4O8S
  • Average mass572.630 Da
  • Monoisotopic mass572.194092 Da
  • ChemSpider ID29240400

More details:

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

1H-Pyrazole-3-carboxylic acid, 5-[2-[[(1,3-benzodioxol-5-ylmethyl)amino]sulfonyl]-4-[(2-methyl-1-oxopropyl)amino]phenoxy]-1-(1,1-dimethylethyl)-4-methyl- [ACD/Index Name]
5-{2-[(1,3-Benzodioxol-5-ylmethyl)sulfamoyl]-4-(isobutyrylamino)phenoxy}-4-methyl-1-(2-methyl-2-propanyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-{2-[(1,3-Benzodioxol-5-ylmethyl)sulfamoyl]-4-(isobutyrylamino)phenoxy}-4-methyl-1-(2-methyl-2-propanyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-{2-[(1,3-benzodioxol-5-ylméthyl)sulfamoyl]-4-(isobutyrylamino)phénoxy}-4-méthyl-1-(2-méthyl-2-propanyl)-1H-pyrazole-3-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.631
Molar Refractivity: 145.8±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 2.05
ACD/BCF (pH 5.5): 8.28
ACD/KOC (pH 5.5): 51.68
ACD/LogD (pH 7.4): 0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.50
Polar Surface Area: 166 Å2
Polarizability: 57.8±0.5 10-24cm3
Surface Tension: 51.6±7.0 dyne/cm
Molar Volume: 409.1±7.0 cm3

Click to predict properties on the Chemicalize site


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