AC1ORQFM
(6E)-6-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C18H14ClN5OS |
|---|---|
| Molecular Weight | 383.06076 g/mol |
| LogP | 3.99651 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 383.06076 |
| Monoisotopic Mass | 383.06076 |
| Heavy Atoms | 26 |
| Complexity | 1049.8461 |
Chemical Identifiers
| CAS Number | 861111-84-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC=C2Cl)C)/C=C/3\C(=N)N4C(=NC3=O)SC=N4 |
Product Overview
AC1ORQFM (CAS 861111-84-4), with molecular formula C18H14ClN5OS and molecular weight 383.06076 g/mol. IUPAC: (6E)-6-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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