ChemSpider 2D Image | 2-[(8-Methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-methylphenyl)acetamide | C26H24N6O2S2

2-[(8-Methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-methylphenyl)acetamide

  • Molecular FormulaC26H24N6O2S2
  • Average mass516.638 Da
  • Monoisotopic mass516.140198 Da
  • ChemSpider ID3212080

More details:

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

2-[(8-Methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-methylphenyl)acetamid [German] [ACD/IUPAC Name]
2-[(8-Methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-methylphenyl)acetamide [ACD/IUPAC Name]
2-[(8-Méthyl-5-oxo-4-phényl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thiéno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-méthylphényl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[(4,5,6,7,8,9-hexahydro-8-methyl-5-oxo-4-phenylpyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio]-N-(2-methylphenyl)- [ACD/Index Name]
2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide
846592-53-8 [RN]

    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: 1.774
    Molar Refractivity: 145.1±0.5 cm3
    #H bond acceptors: 8
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 5.10
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 20.27
    ACD/KOC (pH 5.5): 112.01
    ACD/LogD (pH 7.4): 3.86
    ACD/BCF (pH 7.4): 463.63
    ACD/KOC (pH 7.4): 2561.49
    Polar Surface Area: 137 Å2
    Polarizability: 57.5±0.5 10-24cm3
    Surface Tension: 64.7±7.0 dyne/cm
    Molar Volume: 347.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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