ChemSpider 2D Image | N-(2-Fluorophenyl)-2-({4-[(E)-(4-hydroxy-3-nitrobenzylidene)amino]-5-(1-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide | C25H21FN6O4S

N-(2-Fluorophenyl)-2-({4-[(E)-(4-hydroxy-3-nitrobenzylidene)amino]-5-(1-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

  • Molecular FormulaC25H21FN6O4S
  • Average mass520.535 Da
  • Monoisotopic mass520.132874 Da
  • ChemSpider ID126483960

  • Double-bond stereo - Double-bond stereo

More details:

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

Acetamide, N-(2-fluorophenyl)-2-[[4-[[(1E)-(4-hydroxy-3-nitrophenyl)methylene]amino]-5-(1-phenylethyl)-4H-1,2,4-triazol-3-yl]thio]- [ACD/Index Name]
N-(2-Fluorophenyl)-2-({4-[(E)-(4-hydroxy-3-nitrobenzylidene)amino]-5-(1-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide [ACD/IUPAC Name]
N-(2-Fluorophényl)-2-({4-[(E)-(4-hydroxy-3-nitrobenzylidène)amino]-5-(1-phényléthyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acétamide [French] [ACD/IUPAC Name]
N-(2-Fluorphenyl)-2-({4-[(E)-(4-hydroxy-3-nitrobenzyliden)amino]-5-(1-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamid [German] [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: 1.681
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: 5.87
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 297.84
ACD/KOC (pH 5.5): 1084.50
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 6.15
ACD/KOC (pH 7.4): 22.39
Polar Surface Area: 164 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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