ChemSpider 2D Image | 4-Methyl-5-{4-[(2-methylbutanoyl)amino]-2-(4-morpholinylsulfonyl)phenoxy}-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid | C27H32N4O7S

4-Methyl-5-{4-[(2-methylbutanoyl)amino]-2-(4-morpholinylsulfonyl)phenoxy}-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid

  • Molecular FormulaC27H32N4O7S
  • Average mass556.631 Da
  • Monoisotopic mass556.199158 Da
  • ChemSpider ID29228018

More details:

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

1H-Pyrazole-3-carboxylic acid, 4-methyl-5-[4-[(2-methyl-1-oxobutyl)amino]-2-(4-morpholinylsulfonyl)phenoxy]-1-(4-methylphenyl)- [ACD/Index Name]
4-Methyl-5-{4-[(2-methylbutanoyl)amino]-2-(4-morpholinylsulfonyl)phenoxy}-1-(4-methylphenyl)-1H-pyrazol-3-carbonsäure [German] [ACD/IUPAC Name]
4-Methyl-5-{4-[(2-methylbutanoyl)amino]-2-(4-morpholinylsulfonyl)phenoxy}-1-(4-methylphenyl)-1H-pyrazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 4-méthyl-5-{4-[(2-méthylbutanoyl)amino]-2-(4-morpholinylsulfonyl)phénoxy}-1-(4-méthylphényl)-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: 1.636
Molar Refractivity: 145.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.77
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 3.99
ACD/KOC (pH 5.5): 27.26
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.81
Polar Surface Area: 148 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 405.1±7.0 cm3

Click to predict properties on the Chemicalize site


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