ChemSpider 2D Image | 2-Fluoro-N-{(1R)-1-[4-methyl-5-({2-oxo-2-[(Z)-1,3-thiazolidin-2-ylideneamino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide | C17H19FN6O2S2

2-Fluoro-N-{(1R)-1-[4-methyl-5-({2-oxo-2-[(Z)-1,3-thiazolidin-2-ylideneamino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide

  • Molecular FormulaC17H19FN6O2S2
  • Average mass422.500 Da
  • Monoisotopic mass422.099487 Da
  • ChemSpider ID62373689

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Fluor-N-{(1R)-1-[4-methyl-5-({2-oxo-2-[(Z)-1,3-thiazolidin-2-ylidenamino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamid [German] [ACD/IUPAC Name]
2-Fluoro-N-{(1R)-1-[4-methyl-5-({2-oxo-2-[(Z)-1,3-thiazolidin-2-ylideneamino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide [ACD/IUPAC Name]
2-Fluoro-N-{(1R)-1-[4-méthyl-5-({2-oxo-2-[(Z)-1,3-thiazolidin-2-ylidèneamino]éthyl}sulfanyl)-4H-1,2,4-triazol-3-yl]éthyl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 2-fluoro-N-[(1R)-1-[4-methyl-5-[[2-oxo-2-[(2Z)-2-thiazolidinylideneamino]ethyl]thio]-4H-1,2,4-triazol-3-yl]ethyl]- [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: 1.710
Molar Refractivity: 109.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): 1.00
ACD/BCF (pH 5.5): 3.41
ACD/KOC (pH 5.5): 83.70
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 3.41
ACD/KOC (pH 7.4): 83.73
Polar Surface Area: 152 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 58.9±7.0 dyne/cm
Molar Volume: 279.7±7.0 cm3

Click to predict properties on the Chemicalize site


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