Base information
| Cat. No. | |
| CAS No. | 674773-13-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H18N2O8S |
| Molecular Weight | 398.388 |
| Exact Mass | 398.078 |
| XLogP3 | 0.27428 |
| Mr | 92.1835 |
| PSA | 160.47 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 45 |
| Ring number | 1 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CN(c1sc(c(c1C#N)CC(=O)OC)C(=O)OC)CC(=O)OC |
