ChemSpider 2D Image | 3-({(2R)-3-Methyl-2-[4-(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide | C32H36N4O4

3-({(2R)-3-Methyl-2-[4-(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide

  • Molecular FormulaC32H36N4O4
  • Average mass540.653 Da
  • Monoisotopic mass540.273682 Da
  • ChemSpider ID1365865

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({(2R)-3-Methyl-2-[4-(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamid [German] [ACD/IUPAC Name]
3-({(2R)-3-Methyl-2-[4-(2-methyl-2-butanyl)phenoxy]butanoyl}amino)-N-(5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-3-yl)benzamide [ACD/IUPAC Name]
3-({(2R)-3-Méthyl-2-[4-(2-méthyl-2-butanyl)phénoxy]butanoyl}amino)-N-(5-oxo-1-phényl-4,5-dihydro-1H-pyrazol-3-yl)benzamide [French] [ACD/IUPAC Name]
Benzamide, N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-3-[[(2R)-2-[4-(1,1-dimethylpropyl)phenoxy]-3-methyl-1-oxobutyl]amino]- [ACD/Index Name]

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

ZINC02053606 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.601
Molar Refractivity: 156.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1879.17
ACD/KOC (pH 5.5): 7668.28
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1582.23
ACD/KOC (pH 7.4): 6456.57
Polar Surface Area: 100 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 457.1±7.0 cm3

Click to predict properties on the Chemicalize site


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