AC1LZQ5B
(6E)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(o-tolyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C25H20FN5OS |
|---|---|
| Molecular Weight | 457.13727 g/mol |
| LogP | 5.20913 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 457.13727 |
| Monoisotopic Mass | 457.13727 |
| Heavy Atoms | 33 |
| Complexity | 1415.049 |
Chemical Identifiers
| CAS Number | 845901-10-2 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NN3C(=N)/C(=C\C4=C(N(C(=C4)C)C5=CC=C(C=C5)F)C)/C(=O)N=C3S2 |
Product Overview
AC1LZQ5B (CAS 845901-10-2), with molecular formula C25H20FN5OS and molecular weight 457.13727 g/mol. IUPAC: (6E)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(2-methylphenyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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