ChemSpider 2D Image | 5-{3,5-Dichloro-2-[(3-fluorobenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione | C18H11Cl2FN2O3S

5-{3,5-Dichloro-2-[(3-fluorobenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

  • Molecular FormulaC18H11Cl2FN2O3S
  • Average mass425.261 Da
  • Monoisotopic mass423.985138 Da
  • ChemSpider ID79574965

More details:

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

4,6(1H,5H)-Pyrimidinedione, 5-[[3,5-dichloro-2-[(3-fluorophenyl)methoxy]phenyl]methylene]dihydro-2-thioxo- [ACD/Index Name]
5-{3,5-Dichlor-2-[(3-fluorbenzyl)oxy]benzyliden}-2-thioxodihydro-4,6(1H,5H)-pyrimidindion [German] [ACD/IUPAC Name]
5-{3,5-Dichloro-2-[(3-fluorobenzyl)oxy]benzylidene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [ACD/IUPAC Name]
5-{3,5-Dichloro-2-[(3-fluorobenzyl)oxy]benzylidène}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione [French] [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: 1.692
Molar Refractivity: 103.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 42.32
ACD/KOC (pH 5.5): 309.75
ACD/LogD (pH 7.4): 1.18
ACD/BCF (pH 7.4): 1.35
ACD/KOC (pH 7.4): 9.86
Polar Surface Area: 100 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 72.8±5.0 dyne/cm
Molar Volume: 269.1±5.0 cm3

Click to predict properties on the Chemicalize site


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