ChemSpider 2D Image | 6-(Benzoyloxy)-3-cyano-2-pyridinyl 3-{2-[(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methoxy]propanoyl}benzoate | C28H19FN4O8

6-(Benzoyloxy)-3-cyano-2-pyridinyl 3-{2-[(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methoxy]propanoyl}benzoate

  • Molecular FormulaC28H19FN4O8
  • Average mass558.471 Da
  • Monoisotopic mass558.118713 Da
  • ChemSpider ID8004943

More details:

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

3-{2-[(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)méthoxy]propanoyl}benzoate de 6-(benzoyloxy)-3-cyano-2-pyridinyle [French] [ACD/IUPAC Name]
6-(Benzoyloxy)-3-cyan-2-pyridinyl-3-{2-[(5-fluor-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methoxy]propanoyl}benzoat [German] [ACD/IUPAC Name]
6-(Benzoyloxy)-3-cyano-2-pyridinyl 3-{2-[(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)methoxy]propanoyl}benzoate [ACD/IUPAC Name]
Benzoic acid, 3-[2-[(5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-oxopropyl]-, 6-(benzoyloxy)-3-cyano-2-pyridinyl ester [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: 1.658
Molar Refractivity: 135.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.55
ACD/KOC (pH 5.5): 974.71
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 61.61
ACD/KOC (pH 7.4): 568.95
Polar Surface Area: 165 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 369.2±5.0 cm3

Click to predict properties on the Chemicalize site


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