ChemSpider 2D Image | 2-Chloro-N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-Methyl-4h-1,2,4-Triazol-3-Yl)ethyl]benzamide | C20H20ClFN4O2S

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

  • Molecular FormulaC20H20ClFN4O2S
  • Average mass434.915 Da
  • Monoisotopic mass434.097961 Da
  • ChemSpider ID35034735

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Chlor-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-Chloro-N-[(1S)-1-(5-{[2-(4-fluorophenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide [ACD/IUPAC Name]
2-Chloro-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-Chloro-N-[1-(5-{[2-(4-Fluorophenoxy)ethyl]sulfanyl}-4-Methyl-4h-1,2,4-Triazol-3-Yl)ethyl]benzamide [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[(1S)-1-[5-[[2-(4-fluorophenoxy)ethyl]thio]-4-methyl-4H-1,2,4-triazol-3-yl]ethyl]- [ACD/Index Name]
ZVT

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 114.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.90
ACD/BCF (pH 5.5): 546.84
ACD/KOC (pH 5.5): 3172.07
ACD/LogD (pH 7.4): 3.90
ACD/BCF (pH 7.4): 546.93
ACD/KOC (pH 7.4): 3172.57
Polar Surface Area: 94 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 46.9±7.0 dyne/cm
Molar Volume: 322.5±7.0 cm3

Click to predict properties on the Chemicalize site


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