ChemSpider 2D Image | N-{[5-({2-[(4-Fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide | C25H21FN6O4S

N-{[5-({2-[(4-Fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID20776369

More details:

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

Benzamide, N-[[5-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl]-4-nitro- [ACD/Index Name]
N-{[5-({2-[(4-Fluorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamide [ACD/IUPAC Name]
N-{[5-({2-[(4-Fluorophényl)amino]-2-oxoéthyl}sulfanyl)-4-(3-méthylphényl)-4H-1,2,4-triazol-3-yl]méthyl}-4-nitrobenzamide [French] [ACD/IUPAC Name]
N-{[5-({2-[(4-Fluorphenyl)amino]-2-oxoethyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}-4-nitrobenzamid [German] [ACD/IUPAC Name]
N-((5-((2-((4-fluorophenyl)amino)-2-oxoethyl)thio)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)methyl)-4-nitrobenzamide

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: 5.66
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 360.52
ACD/KOC (pH 5.5): 2354.24
ACD/LogD (pH 7.4): 3.67
ACD/BCF (pH 7.4): 360.49
ACD/KOC (pH 7.4): 2354.05
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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