Base information
| Cat. No. | |
| CAS No. | 168300-88-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H22N2O5S |
| Molecular Weight | 414.475 |
| Exact Mass | 414.125 |
| XLogP3 | 3.5869 |
| Mr | 110.185 |
| PSA | 130.03 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 53 |
| Ring number | 3 |
| Rotor number | 11 |
| Residues number | 0 |
| Canonical smiles | CC(=O)NCSC[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2 |
