AC1NRCI0
11-[5-[[5-cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
Also Known As: 11-(5-{[5-Cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-1,6-dihydropyridin-3-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)undecanoic acid|11-[5-[[5-cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxopyridin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid
CAS: 7063-73-2
| Molecular Formula | C31H44N4O4S2 |
|---|---|
| Molecular Weight | 600.2804 g/mol |
| LogP | 6.3273 |
| Topological Polar Surface Area | 106.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 600.2804 |
| Monoisotopic Mass | 600.2804 |
| Heavy Atoms | 41 |
| Complexity | 1256.0381 |
Chemical Identifiers
| CAS Number | 7063-73-2 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)C#N)C)C=C2C(=O)N(C(=S)S2)CCCCCCCCCCC(=O)O)N3CC(CC(C3)C)C |
Product Overview
AC1NRCI0 (CAS 7063-73-2), with molecular formula C31H44N4O4S2 and molecular weight 600.2804 g/mol. IUPAC: 11-[5-[[5-cyano-2-(3,5-dimethylpiperidin-1-yl)-1-ethyl-4-methyl-6-oxo-3-pyridinyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]undecanoic acid.
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.
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