ChemSpider 2D Image | (5E)-5-{4-[(4-Fluorobenzyl)oxy]-3-methoxybenzylidene}-1-[4-(2-methyl-2-propanyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione | C29H27FN2O5

(5E)-5-{4-[(4-Fluorobenzyl)oxy]-3-methoxybenzylidene}-1-[4-(2-methyl-2-propanyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC29H27FN2O5
  • Average mass502.534 Da
  • Monoisotopic mass502.190399 Da
  • ChemSpider ID4689337
  • Double-bond stereo - Double-bond stereo


More details:






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

(5E)-5-{4-[(4-Fluorbenzyl)oxy]-3-methoxybenzyliden}-1-[4-(2-methyl-2-propanyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
(5E)-5-{4-[(4-Fluorobenzyl)oxy]-3-methoxybenzylidene}-1-[4-(2-methyl-2-propanyl)phenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-5-{4-[(4-Fluorobenzyl)oxy]-3-méthoxybenzylidène}-1-[4-(2-méthyl-2-propanyl)phényl]-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-[4-(1,1-dimethylethyl)phenyl]-5-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylene]-, (5E)- [ACD/Index Name]
(5E)-1-(4-TERT-BUTYLPHENYL)-5-[[4-[(4-FLUOROPHENYL)METHOXY]-3-METHOXYPHENYL]METHYLIDENE]-1,3-DIAZINANE-2,4,6-TRIONE
(5E)-1-(4-tert-butylphenyl)-5-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}pyrimidine-2,4,6(1H,3H,5H)-trione
1-(4-tert-Butyl-phenyl)-5-[4-(4-fluoro-benzyloxy)-3-methoxy-benzylidene]-pyrimidine-2,4,6-trione

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

BAS 01354219 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 137.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.88
ACD/LogD (pH 5.5): 4.63
ACD/BCF (pH 5.5): 1943.09
ACD/KOC (pH 5.5): 7820.85
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 811.68
ACD/KOC (pH 7.4): 3266.96
Polar Surface Area: 85 Å2
Polarizability: 54.3±0.5 10-24cm3
Surface Tension: 51.2±3.0 dyne/cm
Molar Volume: 394.6±3.0 cm3

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