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Search term: ITOVSAQHASTTID (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{4-Methyl-3-[1-(methylsulfonyl)-3-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(3-nitrophenyl)acetamide | C17H22N6O6S

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

  • Molecular FormulaC17H22N6O6S
  • Average mass438.458 Da
  • Monoisotopic mass438.132141 Da
  • ChemSpider ID58406867

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-3-[1-(methylsulfonyl)-3-piperidinyl]-N-(3-nitrophenyl)-5-oxo- [ACD/Index Name]
2-{4-Methyl-3-[1-(methylsulfonyl)-3-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(3-nitrophenyl)acetamid [German] [ACD/IUPAC Name]
2-{4-Methyl-3-[1-(methylsulfonyl)-3-piperidinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(3-nitrophenyl)acetamide [ACD/IUPAC Name]
2-{4-Méthyl-3-[1-(méthylsulfonyl)-3-pipéridinyl]-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-N-(3-nitrophényl)acétamide [French] [ACD/IUPAC Name]
2-(4-methyl-3-(1-(methylsulfonyl)piperidin-3-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(3-nitrophenyl)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: 1.695
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.48
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 26.29
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.39
Polar Surface Area: 157 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 69.6±7.0 dyne/cm
Molar Volume: 280.8±7.0 cm3

Click to predict properties on the Chemicalize site


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