AC1NZM3G
(6E)-6-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[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-2-(pentan-3-yl)-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-2-pentan-3-yl-[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-2-(pentan-3-yl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C23H24ClN5OS |
|---|---|
| Molecular Weight | 453.139 g/mol |
| LogP | 5.80291 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.139 |
| Monoisotopic Mass | 453.139 |
| Heavy Atoms | 31 |
| Complexity | 1172.6246 |
Chemical Identifiers
| CAS Number | 845666-88-8 |
|---|---|
| SMILES | CCC(CC)C1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC=C4Cl)C)/C(=O)N=C2S1 |
Product Overview
AC1NZM3G (CAS 845666-88-8), with molecular formula C23H24ClN5OS and molecular weight 453.139 g/mol. IUPAC: (6E)-6-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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