ChemSpider 2D Image | 2-Fluoro-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide | C25H21FN6O4S

2-Fluoro-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID1648076

More details:

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

2-Fluor-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamid [German] [ACD/IUPAC Name]
2-Fluoro-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide [ACD/IUPAC Name]
2-Fluoro-N-{[5-({2-[(2-méthyl-5-nitrophényl)amino]-2-oxoéthyl}sulfanyl)-4-phényl-4H-1,2,4-triazol-3-yl]méthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-fluoro-N-[[5-[[2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]methyl]- [ACD/Index Name]
2-fluoro-N-[[5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
2-fluoro-N-{[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}thio)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
2-Fluoro-N-{5-[(2-methyl-5-nitro-phenylcarbamoyl)-methylsulfanyl]-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl}-benzamide
701931-35-3 [RN]

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

ZINC02852671 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.681
    Molar Refractivity: 138.6±0.5 cm3
    #H bond acceptors: 10
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 3
    ACD/LogP: 5.13
    ACD/LogD (pH 5.5): 4.09
    ACD/BCF (pH 5.5): 757.28
    ACD/KOC (pH 5.5): 4004.70
    ACD/LogD (pH 7.4): 4.09
    ACD/BCF (pH 7.4): 757.24
    ACD/KOC (pH 7.4): 4004.54
    Polar Surface Area: 160 Å2
    Polarizability: 54.9±0.5 10-24cm3
    Surface Tension: 58.3±7.0 dyne/cm
    Molar Volume: 366.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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