ChemSpider 2D Image | (5E)-5-{4-[(4-Chlorobenzyl)oxy]-3-methoxybenzylidene}-1-(3-methoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione | C30H29ClN2O7

(5E)-5-{4-[(4-Chlorobenzyl)oxy]-3-methoxybenzylidene}-1-(3-methoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione

  • Molecular FormulaC30H29ClN2O7
  • Average mass565.013 Da
  • Monoisotopic mass564.166321 Da
  • ChemSpider ID4707991

  • Double-bond stereo - Double-bond stereo

More details:

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

(5E)-5-{4-[(4-Chlorbenzyl)oxy]-3-methoxybenzyliden}-1-(3-methoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidintrion [German] [ACD/IUPAC Name]
(5E)-5-{4-[(4-Chlorobenzyl)oxy]-3-methoxybenzylidene}-1-(3-methoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [ACD/IUPAC Name]
(5E)-5-{4-[(4-Chlorobenzyl)oxy]-3-méthoxybenzylidène}-1-(3-méthoxy-4-propoxybenzyl)-2,4,6(1H,3H,5H)-pyrimidinetrione [French] [ACD/IUPAC Name]
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-, (5E)- [ACD/Index Name]
(5E)-5-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1-[(3-methoxy-4-propoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
722468-19-1 [RN]
CYIUNZFJSLXHGM-OEAKJJBVSA-N

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

AH-487/41948999 [DBID]
ZINC08430142 [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: 1.618
    Molar Refractivity: 150.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 2
    ACD/LogP: 5.61
    ACD/LogD (pH 5.5): 4.17
    ACD/BCF (pH 5.5): 862.92
    ACD/KOC (pH 5.5): 4378.61
    ACD/LogD (pH 7.4): 3.84
    ACD/BCF (pH 7.4): 402.83
    ACD/KOC (pH 7.4): 2044.00
    Polar Surface Area: 103 Å2
    Polarizability: 59.8±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 430.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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