AC1O44NO
(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylidene]-5-imino-2-pentyl-5,6-dihydro-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-2-pentyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C24H27N5OS |
|---|---|
| Molecular Weight | 433.19363 g/mol |
| LogP | 5.35271 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.19363 |
| Monoisotopic Mass | 433.19363 |
| Heavy Atoms | 31 |
| Complexity | 1110.4895 |
Chemical Identifiers
| CAS Number | 877781-75-4 |
|---|---|
| SMILES | CCCCCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)CC4=CC=CC=C4)C)/C(=O)N=C2S1 |
Product Overview
AC1O44NO (CAS 877781-75-4), with molecular formula C24H27N5OS and molecular weight 433.19363 g/mol. IUPAC: (6E)-6-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylidene]-5-imino-2-pentyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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