ChemSpider 2D Image | (5E)-5-[4-(Allyloxy)-3-bromobenzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | C22H18BrClN2O6

(5E)-5-[4-(Allyloxy)-3-bromobenzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC22H18BrClN2O6
  • Average mass521.745 Da
  • Monoisotopic mass520.003662 Da
  • ChemSpider ID81221821
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-5-[4-(Allyloxy)-3-brombenzyliden]-1-(4-chlor-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
(5E)-5-[4-(Allyloxy)-3-bromobenzylidene]-1-(4-chloro-2,5-dimethoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-5-[4-(Allyloxy)-3-bromobenzylidène]-1-(4-chloro-2,5-diméthoxyphényl)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[3-bromo-4-(2-propen-1-yloxy)phenyl]methylene]-1-(4-chloro-2,5-dimethoxyphenyl)-, (5E)- [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: 1.632
Molar Refractivity: 122.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1136.53
ACD/KOC (pH 5.5): 5307.52
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 336.94
ACD/KOC (pH 7.4): 1573.51
Polar Surface Area: 94 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 55.2±3.0 dyne/cm
Molar Volume: 343.3±3.0 cm3

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