AC1NZMW8
(6E)-2-benzyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (E)-2-benzyl-6-((1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one|(6E)-2-benzyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
| Molecular Formula | C27H25N5OS |
|---|---|
| Molecular Weight | 467.17798 g/mol |
| LogP | 5.57285 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 467.17798 |
| Monoisotopic Mass | 467.17798 |
| Heavy Atoms | 34 |
| Complexity | 1408.4473 |
Chemical Identifiers
| CAS Number | 877798-28-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)/C=C/3\C(=N)N4C(=NC3=O)SC(=N4)CC5=CC=CC=C5)C |
Product Overview
AC1NZMW8 (CAS 877798-28-2), with molecular formula C27H25N5OS and molecular weight 467.17798 g/mol. IUPAC: (6E)-2-benzyl-6-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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