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Search term: SDOWQDRTTAFAFX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-(2,6-Dimethoxy-3-pyridinyl)-2-{[4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(methylsulfonyl)acetamide | C22H22N6O5S2

N-(2,6-Dimethoxy-3-pyridinyl)-2-{[4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(methylsulfonyl)acetamide

  • Molecular FormulaC22H22N6O5S2
  • Average mass514.577 Da
  • Monoisotopic mass514.109314 Da
  • ChemSpider ID2985258

More details:

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

2-{[5-(6-Chinolinyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,6-dimethoxy-3-pyridinyl)-N-(methylsulfonyl)acetamid [German] [ACD/IUPAC Name]
Acetamide, N-(2,6-dimethoxy-3-pyridinyl)-2-[[4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl]thio]-N-(methylsulfonyl)- [ACD/Index Name]
N-(2,6-Diméthoxy-3-pyridinyl)-2-{[4-méthyl-5-(6-quinoléinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(méthylsulfonyl)acétamide [French] [ACD/IUPAC Name]
N-(2,6-Dimethoxy-3-pyridinyl)-2-{[4-methyl-5-(6-quinolinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(methylsulfonyl)acetamide [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 745.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 108.7±3.0 kJ/mol
Flash Point: 404.9±35.7 °C
Index of Refraction: 1.683
Molar Refractivity: 134.3±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 1.57
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.48
ACD/KOC (pH 5.5): 198.58
ACD/LogD (pH 7.4): 1.71
ACD/BCF (pH 7.4): 11.69
ACD/KOC (pH 7.4): 202.30
Polar Surface Area: 163 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 57.7±7.0 dyne/cm
Molar Volume: 354.3±7.0 cm3

Click to predict properties on the Chemicalize site


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