ChemSpider 2D Image | 2-({4-[(E)-(2,4-Difluorobenzylidene)amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamide | C23H17F4N5O3S

2-({4-[(E)-(2,4-Difluorobenzylidene)amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamide

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID126357254

  • Double-bond stereo - Double-bond stereo

More details:

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

2-({4-[(E)-(2,4-Difluorbenzyliden)amino]-5-[(2,5-difluorphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamid [German] [ACD/IUPAC Name]
2-({4-[(E)-(2,4-Difluorobenzylidene)amino]-5-[(2,5-difluorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylmethyl)acetamide [ACD/IUPAC Name]
2-({4-[(E)-(2,4-Difluorobenzylidène)amino]-5-[(2,5-difluorophénoxy)méthyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-furylméthyl)acétamide [French] [ACD/IUPAC Name]
Acetamide, 2-[[5-[(2,5-difluorophenoxy)methyl]-4-[[(1E)-(2,4-difluorophenyl)methylene]amino]-4H-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)- [ACD/Index Name]

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: 1.626
Molar Refractivity: 125.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.87
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 637.94
ACD/KOC (pH 5.5): 3542.10
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 637.94
ACD/KOC (pH 7.4): 3542.13
Polar Surface Area: 120 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 354.3±7.0 cm3

Click to predict properties on the Chemicalize site


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