ChemSpider 2D Image | N-{[5-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide | C28H26FN5O3S

N-{[5-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

  • Molecular FormulaC28H26FN5O3S
  • Average mass531.601 Da
  • Monoisotopic mass531.174011 Da
  • ChemSpider ID2523469

More details:

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

Acetamide, N-[[5-[[2-(3,4-dihydro-1(2H)-quinolinyl)-2-oxoethyl]thio]-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl]-2-phenoxy- [ACD/Index Name]
N-{[5-{[2-(3,4-Dihydro-1(2H)-chinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamid [German] [ACD/IUPAC Name]
N-{[5-{[2-(3,4-Dihydro-1(2H)-quinoléinyl)-2-oxoéthyl]sulfanyl}-4-(4-fluorophényl)-4H-1,2,4-triazol-3-yl]méthyl}-2-phénoxyacétamide [French] [ACD/IUPAC Name]
N-{[5-{[2-(3,4-Dihydro-1(2H)-quinolinyl)-2-oxoethyl]sulfanyl}-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide [ACD/IUPAC Name]
394214-86-9 [RN]
N-((5-((2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl)thio)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-phenoxyacetamide
N-{[4-(4-fluorophenyl)-5-{[2-oxo-2-(1,2,3,4-tetrahydroquinolin-1-yl)ethyl]sulfanyl}-4H-1,2,4-triazol-3-yl]methyl}-2-phenoxyacetamide

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: 1.667
Molar Refractivity: 146.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.25
ACD/LogD (pH 5.5): 4.04
ACD/BCF (pH 5.5): 691.06
ACD/KOC (pH 5.5): 3750.76
ACD/LogD (pH 7.4): 4.04
ACD/BCF (pH 7.4): 691.09
ACD/KOC (pH 7.4): 3750.93
Polar Surface Area: 115 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 54.1±7.0 dyne/cm
Molar Volume: 394.3±7.0 cm3

Click to predict properties on the Chemicalize site


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