Base information
| Cat. No. | |
| CAS No. | 2730-71-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25NO5S |
| Molecular Weight | 415.503 |
| Exact Mass | 415.145 |
| XLogP3 | 3.9758 |
| Mr | 114.586 |
| PSA | 99.16 |
| Sequence | - |
| Atom number | 54 |
| Bond number | 56 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1c2-c3ccc(c(=O)cc3[C@H](CCc2cc(c1OC)OC)NC(=O)C)SC |
