ChemSpider 2D Image | Methyl ({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-piperidinyl}sulfonyl)acetate | C13H20N2O7S2

Methyl ({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-piperidinyl}sulfonyl)acetate

  • Molecular FormulaC13H20N2O7S2
  • Average mass380.437 Da
  • Monoisotopic mass380.071198 Da
  • ChemSpider ID30763751

More details:

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

({1-[(3,5-Diméthyl-1,2-oxazol-4-yl)sulfonyl]-4-pipéridinyl}sulfonyl)acétate de méthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[[1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinyl]sulfonyl]-, methyl ester [ACD/Index Name]
Methyl ({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-piperidinyl}sulfonyl)acetate [ACD/IUPAC Name]
Methyl-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-piperidinyl}sulfonyl)acetat [German] [ACD/IUPAC Name]
1448064-59-2 [RN]
methyl 2-((1-((3,5-dimethylisoxazol-4-yl)sulfonyl)piperidin-4-yl)sulfonyl)acetate
methyl 2-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl}sulfonyl)acetate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 617.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 327.1±34.3 °C
Index of Refraction: 1.568
Molar Refractivity: 84.6±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.01
ACD/LogD (pH 5.5): 0.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.63
ACD/LogD (pH 7.4): 0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.63
Polar Surface Area: 141 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 63.9±5.0 dyne/cm
Molar Volume: 258.6±5.0 cm3

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