ChemSpider 2D Image | (3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate | C22H23FN6O5

(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate

  • Molecular FormulaC22H23FN6O5
  • Average mass470.454 Da
  • Monoisotopic mass470.171387 Da
  • ChemSpider ID33177166

More details:

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

(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate [ACD/IUPAC Name]
(3-Butyl-7-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl-3-[3-(4-fluorphenyl)-1,2,4-oxadiazol-5-yl]propanoat [German] [ACD/IUPAC Name]
1,2,4-Oxadiazole-5-propanoic acid, 3-(4-fluorophenyl)-, (3-butyl-2,3,6,7-tetrahydro-7-methyl-2,6-dioxo-1H-purin-8-yl)methyl ester [ACD/Index Name]
3-[3-(4-Fluorophényl)-1,2,4-oxadiazol-5-yl]propanoate de (3-butyl-7-méthyl-2,6-dioxo-2,3,6,7-tétrahydro-1H-purin-8-yl)méthyle [French] [ACD/IUPAC 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: 1.667
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 53.84
ACD/KOC (pH 5.5): 603.55
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 53.52
ACD/KOC (pH 7.4): 599.98
Polar Surface Area: 132 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 56.1±7.0 dyne/cm
Molar Volume: 318.7±7.0 cm3

Click to predict properties on the Chemicalize site


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