ChemSpider 2D Image | 2-Methoxy-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenyl 4-nitrobenzoate | C26H19N3O9

2-Methoxy-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenyl 4-nitrobenzoate

  • Molecular FormulaC26H19N3O9
  • Average mass517.444 Da
  • Monoisotopic mass517.112122 Da
  • ChemSpider ID68289620

  • Double-bond stereo - Double-bond stereo

More details:

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

2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[3-methoxy-4-[(4-nitrobenzoyl)oxy]phenyl]methylene]-1-(4-methoxyphenyl)-, (5E)- [ACD/Index Name]
2-Methoxy-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}phenyl-4-nitrobenzoat [German] [ACD/IUPAC Name]
2-Methoxy-4-{(E)-[1-(4-methoxyphenyl)-2,4,6-trioxotetrahydro-5(2H)-pyrimidinylidene]methyl}phenyl 4-nitrobenzoate [ACD/IUPAC Name]
4-Nitrobenzoate de 2-méthoxy-4-{(E)-[1-(4-méthoxyphényl)-2,4,6-trioxotétrahydro-5(2H)-pyrimidinylidène]méthyl}phényle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.661
Molar Refractivity: 132.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 161.47
ACD/KOC (pH 5.5): 1316.26
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 58.93
ACD/KOC (pH 7.4): 480.39
Polar Surface Area: 157 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 64.2±3.0 dyne/cm
Molar Volume: 358.3±3.0 cm3

Click to predict properties on the Chemicalize site


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