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Search term: STSLQOHQMVGCJX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-{[4-(4-Methoxyphenyl)-5-{4-[(methylsulfonyl)amino]phenyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide | C22H22N6O5S2

2-{[4-(4-Methoxyphenyl)-5-{4-[(methylsulfonyl)amino]phenyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID2439306

More details:

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

2-{[4-(4-Methoxyphenyl)-5-{4-[(methylsulfonyl)amino]phenyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamid [German] [ACD/IUPAC Name]
2-{[4-(4-Methoxyphenyl)-5-{4-[(methylsulfonyl)amino]phenyl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide [ACD/IUPAC Name]
2-{[4-(4-Méthoxyphényl)-5-{4-[(méthylsulfonyl)amino]phényl}-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-méthyl-1,2-oxazol-3-yl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[4-(4-methoxyphenyl)-5-[4-[(methylsulfonyl)amino]phenyl]-4H-1,2,4-triazol-3-yl]thio]-N-(5-methyl-3-isoxazolyl)- [ACD/Index Name]

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

ASN 04445258 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.691
Molar Refractivity: 133.6±0.5 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 41.20
ACD/KOC (pH 5.5): 485.29
ACD/LogD (pH 7.4): 1.57
ACD/BCF (pH 7.4): 5.49
ACD/KOC (pH 7.4): 64.60
Polar Surface Area: 175 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 59.5±7.0 dyne/cm
Molar Volume: 349.0±7.0 cm3

Click to predict properties on the Chemicalize site


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