AC1NZ2G1
(6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-6-((1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-(thiophen-2-ylmethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-5-imino-2-(thiophen-2-ylmethyl)-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C25H23N5OS2 |
|---|---|
| Molecular Weight | 473.1344 g/mol |
| LogP | 5.63435 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.1344 |
| Monoisotopic Mass | 473.1344 |
| Heavy Atoms | 33 |
| Complexity | 1372.0167 |
Chemical Identifiers
| CAS Number | 844648-29-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC5=CC=CS5)C |
Product Overview
AC1NZ2G1 (CAS 844648-29-9), with molecular formula C25H23N5OS2 and molecular weight 473.1344 g/mol. IUPAC: (6E)-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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