AC1NZNR6
(6E)-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-6-((1-(2,3-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-2-ethyl-5-imino-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C22H23N5OS |
|---|---|
| Molecular Weight | 405.16232 g/mol |
| LogP | 4.74015 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.16232 |
| Monoisotopic Mass | 405.16232 |
| Heavy Atoms | 29 |
| Complexity | 1152.1927 |
Chemical Identifiers
| CAS Number | 862199-99-3 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=CC(=C4C)C)C)/C(=O)N=C2S1 |
Product Overview
AC1NZNR6 (CAS 862199-99-3), with molecular formula C22H23N5OS and molecular weight 405.16232 g/mol. IUPAC: (6E)-6-[[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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