AC1M0QKN
(6E)-6-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-(4-fluorophenyl)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-(4-fluorophenyl)-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C26H22FN5OS |
|---|---|
| Molecular Weight | 471.15292 g/mol |
| LogP | 5.51755 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 471.15292 |
| Monoisotopic Mass | 471.15292 |
| Heavy Atoms | 34 |
| Complexity | 1442.7917 |
Chemical Identifiers
| CAS Number | 848754-21-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CC=C(C=C5)F)C)C |
Product Overview
AC1M0QKN (CAS 848754-21-2), with molecular formula C26H22FN5OS and molecular weight 471.15292 g/mol. IUPAC: (6E)-6-[[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-(4-fluorophenyl)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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