AC1NYM1B
(6E)-6-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: (6E)-6-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one|(E)-2-ethyl-5-imino-6-((1-(4-isopropylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7(6H)-one
| Molecular Formula | C23H25N5OS |
|---|---|
| Molecular Weight | 419.17798 g/mol |
| LogP | 5.24671 |
| Topological Polar Surface Area | 73.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.17798 |
| Monoisotopic Mass | 419.17798 |
| Heavy Atoms | 30 |
| Complexity | 1135.0885 |
Chemical Identifiers
| CAS Number | 848060-75-3 |
|---|---|
| SMILES | CCC1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)C(C)C)C)/C(=O)N=C2S1 |
Product Overview
AC1NYM1B (CAS 848060-75-3), with molecular formula C23H25N5OS and molecular weight 419.17798 g/mol. IUPAC: (6E)-6-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]-2-ethyl-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
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