Base information
| Cat. No. | |
| CAS No. | 7431-77-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H24N2O5S |
| Molecular Weight | 368.448 |
| Exact Mass | 368.141 |
| XLogP3 | 1.68638 |
| Mr | 97.0194 |
| PSA | 88.78 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 48 |
| Ring number | 1 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(c1O)OC.[S-]C#N |
