ChemSpider 2D Image | (5E)-5-{2-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-(4-bromo-3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | C27H21Br2N3O7

(5E)-5-{2-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-(4-bromo-3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC27H21Br2N3O7
  • Average mass659.279 Da
  • Monoisotopic mass656.974609 Da
  • ChemSpider ID81124212

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-{2-Brom-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzyliden}-1-(4-brom-3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
(5E)-5-{2-Bromo-5-ethoxy-4-[(4-nitrobenzyl)oxy]benzylidene}-1-(4-bromo-3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-5-{2-Bromo-5-éthoxy-4-[(4-nitrobenzyl)oxy]benzylidène}-1-(4-bromo-3-méthylphényl)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[2-bromo-5-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-1-(4-bromo-3-methylphenyl)-, (5E)- [ACD/Index 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: 1.672
Molar Refractivity: 150.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 6.78
ACD/LogD (pH 5.5): 5.74
ACD/BCF (pH 5.5): 13429.28
ACD/KOC (pH 5.5): 31000.91
ACD/LogD (pH 7.4): 5.13
ACD/BCF (pH 7.4): 3311.08
ACD/KOC (pH 7.4): 7643.49
Polar Surface Area: 131 Å2
Polarizability: 59.5±0.5 10-24cm3
Surface Tension: 63.4±3.0 dyne/cm
Molar Volume: 400.7±3.0 cm3

Click to predict properties on the Chemicalize site


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