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

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

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID62436280

More details:

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

Benzamide, N-[4-[5-[[2-[(4-fluoro-3-nitrophenyl)amino]-2-oxoethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]phenyl]-3-methyl- [ACD/Index Name]
N-{4-[5-({2-[(4-Fluor-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-methylbenzamid [German] [ACD/IUPAC Name]
N-{4-[5-({2-[(4-Fluoro-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]phenyl}-3-methylbenzamide [ACD/IUPAC Name]
N-{4-[5-({2-[(4-Fluoro-3-nitrophényl)amino]-2-oxoéthyl}sulfanyl)-4-méthyl-4H-1,2,4-triazol-3-yl]phényl}-3-méthylbenzamide [French] [ACD/IUPAC Name]

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: 1.682
Molar Refractivity: 138.4±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.63
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 935.03
ACD/KOC (pH 5.5): 4657.03
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 934.82
ACD/KOC (pH 7.4): 4656.00
Polar Surface Area: 160 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 57.1±7.0 dyne/cm
Molar Volume: 365.6±7.0 cm3

Click to predict properties on the Chemicalize site


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