Cas no 5963-67-7 ((5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione)

(5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione structure
5963-67-7 structure
Product Name:(5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CAS No:5963-67-7
MF:C23H18N2O5S
MW:434.464424610138
CID:1616216
PubChem ID:1358843
Update Time:2025-04-21

(5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione Chemical and Physical Properties

Names and Identifiers

    • (5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
    • (5Z)-1-(4-Methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]-2-furyl}methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
    • 2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(4-methoxyphenyl)-5-[[5-[(4-methylphenyl)thio]-2-furanyl]methylene]-, (5Z)-
    • (5Z)-1-(4-methoxyphenyl)-5-[[5-(4-methylphenyl)sulfanylfuran-2-yl]methylidene]-1,3-diazinane-2,4,6-trione
    • STK035923
    • AKOS001626506
    • 5963-67-7
    • DTXSID60362070
    • (5Z)-1-(4-METHOXYPHENYL)-5-({5-[(4-METHYLPHENYL)SULFANYL]FURAN-2-YL}METHYLIDENE)-1,3-DIAZINANE-2,4,6-TRIONE
    • 1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)thio]-2-furyl}methylene)-2,4,6(1H,3H,5H)-pyrimidinetrione
    • BIM-0039368.P001
    • Inchi： 1S/C23H18N2O5S/c1-14-3-10-18(11-4-14)31-20-12-9-17(30-20)13-19-21(26)24-23(28)25(22(19)27)15-5-7-16(29-2)8-6-15/h3-13H,1-2H3,(H,24,26,28)/b19-13-
    • InChI Key： IWEGADIICZFASP-UYRXBGFRSA-N
    • SMILES： S(C1C=CC(C)=CC=1)C1=CC=C(/C=C2/C(NC(N(C/2=O)C2C=CC(=CC=2)OC)=O)=O)O1

Computed Properties

  • Exact Mass: 434.09374
  • Monoisotopic Mass: 434.094
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 31
  • Rotatable Bond Count: 5
  • Complexity: 726
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 114?2

Experimental Properties

  • Density: 1.43
  • Refractive Index: 1.691
  • PSA: 88.85

(5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione Related Literature

5963-67-7 ((5Z)-1-(4-methoxyphenyl)-5-({5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene)pyrimidine-2,4,6(1H,3H,5H)-trione) Related Products

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