ChemSpider 2D Image | 2-{[6-(4-Fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}-N-[4-(trifluoromethoxy)benzyl]hydrazinecarbothioamide | C23H17F4N5O3S

2-{[6-(4-Fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}-N-[4-(trifluoromethoxy)benzyl]hydrazinecarbothioamide

  • Molecular FormulaC23H17F4N5O3S
  • Average mass519.471 Da
  • Monoisotopic mass519.098816 Da
  • ChemSpider ID102423784

More details:

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

2-{[6-(4-Fluorophenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}-N-[4-(trifluoromethoxy)benzyl]hydrazinecarbothioamide [ACD/IUPAC Name]
2-{[6-(4-Fluorophényl)-3-méthyl[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}-N-[4-(trifluorométhoxy)benzyl]hydrazinecarbothioamide [French] [ACD/IUPAC Name]
2-{[6-(4-Fluorphenyl)-3-methyl[1,2]oxazolo[5,4-b]pyridin-4-yl]carbonyl}-N-[4-(trifluormethoxy)benzyl]hydrazincarbothioamid [German] [ACD/IUPAC Name]
Isoxazolo[5,4-b]pyridine-4-carboxylic acid, 6-(4-fluorophenyl)-3-methyl-, 2-[thioxo[[[4-(trifluoromethoxy)phenyl]methyl]amino]methyl]hydrazide [ACD/Index Name]

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: 1.621
Molar Refractivity: 126.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.10
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.70
ACD/KOC (pH 5.5): 1745.43
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 113.30
ACD/KOC (pH 7.4): 828.48
Polar Surface Area: 133 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 55.3±3.0 dyne/cm
Molar Volume: 359.1±3.0 cm3

Click to predict properties on the Chemicalize site


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