ChemSpider 2D Image | 2,6-Difluoro-N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-Methyl-4h-1,2,4-Triazol-3-Yl)ethyl]benzamide | C20H19F3N4O2S

2,6-Difluoro-N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-Methyl-4h-1,2,4-Triazol-3-Yl)ethyl]benzamide

  • Molecular FormulaC20H19F3N4O2S
  • Average mass436.451 Da
  • Monoisotopic mass436.118073 Da
  • ChemSpider ID35034739

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2,6-Difluor-N-[(1S)-1-(5-{[2-(4-fluorphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamid [German] [ACD/IUPAC Name]
2,6-Difluoro-N-[(1S)-1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide [ACD/IUPAC Name]
2,6-Difluoro-N-[(1S)-1-(5-{[2-(4-fluorophénoxy)éthyl]sulfanyl}-4-méthyl-4H-1,2,4-triazol-3-yl)éthyl]benzamide [French] [ACD/IUPAC Name]
2,6-Difluoro-N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-Methyl-4h-1,2,4-Triazol-3-Yl)ethyl]benzamide [ACD/IUPAC Name]
Benzamide, 2,6-difluoro-N-[(1S)-1-[5-[[2-(4-fluorophenoxy)ethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]ethyl]- [ACD/Index Name]
ZVX

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: 1.602
Molar Refractivity: 109.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 169.48
ACD/KOC (pH 5.5): 1371.49
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 169.49
ACD/KOC (pH 7.4): 1371.57
Polar Surface Area: 94 Å2
Polarizability: 43.4±0.5 10-24cm3
Surface Tension: 42.7±7.0 dyne/cm
Molar Volume: 319.0±7.0 cm3

Click to predict properties on the Chemicalize site


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