ChemSpider 2D Image | Methyl 4-({[2-({3-[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}carbonyl)hydrazino]carbonyl}amino)cyclohexanecarboxylate | C20H21FN8O5

Methyl 4-({[2-({3-[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}carbonyl)hydrazino]carbonyl}amino)cyclohexanecarboxylate

  • Molecular FormulaC20H21FN8O5
  • Average mass472.430 Da
  • Monoisotopic mass472.161896 Da
  • ChemSpider ID102247374

More details:

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

1,2,4-Oxadiazole-5-carboxylic acid, 3-[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]-, 2-[[[4-(methoxycarbonyl)cyclohexyl]amino]carbonyl]hydrazide [ACD/Index Name]
4-({[2-({3-[1-(3-Fluorophényl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}carbonyl)hydrazino]carbonyl}amino)cyclohexanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-({[2-({3-[1-(3-fluorophenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}carbonyl)hydrazino]carbonyl}amino)cyclohexanecarboxylate [ACD/IUPAC Name]
Methyl-4-({[2-({3-[1-(3-fluorphenyl)-1H-1,2,3-triazol-4-yl]-1,2,4-oxadiazol-5-yl}carbonyl)hydrazino]carbonyl}amino)cyclohexancarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.720
Molar Refractivity: 114.9±0.5 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 1.54
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.20
ACD/KOC (pH 5.5): 61.09
ACD/LogD (pH 7.4): 0.51
ACD/BCF (pH 7.4): 1.24
ACD/KOC (pH 7.4): 34.40
Polar Surface Area: 166 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 290.7±7.0 cm3

Click to predict properties on the Chemicalize site


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