Base information
| Cat. No. | |
| CAS No. | 84903-78-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H24N2O4S |
| Molecular Weight | 400.491 |
| Exact Mass | 400.146 |
| XLogP3 | 3.1305 |
| Mr | 112.924 |
| PSA | 95.38 |
| Sequence | - |
| Atom number | 52 |
| Bond number | 54 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CN(CCN1c2ccccc2S[C@H]([C@H](C1=O)OC(=O)C)c1ccc(cc1)O)C |
