AC1NQEGK
2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
Also Known As: 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile
CAS: 5533-46-0
| Molecular Formula | C25H22FN3O2S |
|---|---|
| Molecular Weight | 447.14166 g/mol |
| LogP | 2.61278 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.14166 |
| Monoisotopic Mass | 447.14166 |
| Heavy Atoms | 32 |
| Complexity | 1346.3043 |
Chemical Identifiers
| CAS Number | 5533-46-0 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)C(=C2N(C(=O)C(=CC3=CC(=CC=C3)F)S2)CC4=CC=CC=C4)C#N |
Product Overview
AC1NQEGK (CAS 5533-46-0), with molecular formula C25H22FN3O2S and molecular weight 447.14166 g/mol. IUPAC: 2-[3-benzyl-5-[(3-fluorophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-piperidin-1-ylpropanenitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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