ChemSpider 2D Image | 2-{4-Methyl-3-[1-(methylsulfonyl)-4-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide | C15H22N6O5S

2-{4-Methyl-3-[1-(methylsulfonyl)-4-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

  • Molecular FormulaC15H22N6O5S
  • Average mass398.437 Da
  • Monoisotopic mass398.137238 Da
  • ChemSpider ID39234450

More details:






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

1H-1,2,4-Triazole-1-acetamide, 4,5-dihydro-4-methyl-N-(5-methyl-3-isoxazolyl)-3-[1-(methylsulfonyl)-4-piperidinyl]-5-oxo- [ACD/Index Name]
2-{4-Methyl-3-[1-(methylsulfonyl)-4-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(5-methyl-1,2-oxazol-3-yl)acetamid [German] [ACD/IUPAC Name]
2-{4-Methyl-3-[1-(methylsulfonyl)-4-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide [ACD/IUPAC Name]
2-{4-Méthyl-3-[1-(méthylsulfonyl)-4-pipéridinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(5-méthyl-1,2-oxazol-3-yl)acétamide [French] [ACD/IUPAC Name]
2-(4-methyl-3-(1-(methylsulfonyl)piperidin-4-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(5-methylisoxazol-3-yl)acetamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.693
Molar Refractivity: 97.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.59
ACD/LogD (pH 5.5): -1.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.50
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.53
Polar Surface Area: 137 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 64.8±7.0 dyne/cm
Molar Volume: 253.7±7.0 cm3

Click to predict properties on the Chemicalize site






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