ChemSpider 2D Image | 4-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}-3,5-dimethyl-1,2-oxazole | C12H20N2O5S2

4-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}-3,5-dimethyl-1,2-oxazole

  • Molecular FormulaC12H20N2O5S2
  • Average mass336.428 Da
  • Monoisotopic mass336.081360 Da
  • ChemSpider ID30764217

More details:

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

4-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}-3,5-dimethyl-1,2-oxazol [German] [ACD/IUPAC Name]
4-{[3-(Isobutylsulfonyl)-1-azetidinyl]sulfonyl}-3,5-dimethyl-1,2-oxazole [ACD/IUPAC Name]
4-{[3-(Isobutylsulfonyl)-1-azétidinyl]sulfonyl}-3,5-diméthyl-1,2-oxazole [French] [ACD/IUPAC Name]
Isoxazole, 3,5-dimethyl-4-[[3-[(2-methylpropyl)sulfonyl]-1-azetidinyl]sulfonyl]- [ACD/Index Name]
1798035-54-7 [RN]
3,5-dimethyl-4-{[3-(2-methylpropanesulfonyl)azetidin-1-yl]sulfonyl}-1,2-oxazole
4-((3-(isobutylsulfonyl)azetidin-1-yl)sulfonyl)-3,5-dimethylisoxazole

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.4±3.0 kJ/mol
Flash Point: 293.3±32.9 °C
Index of Refraction: 1.564
Molar Refractivity: 78.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.43
ACD/LogD (pH 5.5): 0.85
ACD/BCF (pH 5.5): 2.62
ACD/KOC (pH 5.5): 69.35
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 2.62
ACD/KOC (pH 7.4): 69.35
Polar Surface Area: 114 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 240.0±5.0 cm3

Click to predict properties on the Chemicalize site


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