AC1M1EK2
(6E)-6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-phenyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H20ClN5O2S |
|---|---|
| Molecular Weight | 489.10263 g/mol |
| LogP | 5.42361 |
| Topological Polar Surface Area | 83.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.10263 |
| Monoisotopic Mass | 489.10263 |
| Heavy Atoms | 34 |
| Complexity | 1438.9828 |
Chemical Identifiers
| CAS Number | 849020-08-2 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=C(C=C2)OC)Cl)C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)C5=CC=CC=C5 |
Product Overview
AC1M1EK2 (CAS 849020-08-2), with molecular formula C25H20ClN5O2S and molecular weight 489.10263 g/mol. IUPAC: (6E)-6-[[1-(3-chloro-4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-phenyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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