Base information
| Cat. No. | |
| CAS No. | 848814-27-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H27N3O3S |
| Molecular Weight | 401.522 |
| Exact Mass | 401.177 |
| XLogP3 | 2.6437 |
| Mr | 119.01 |
| PSA | 104.33 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 3 |
| Rotor number | 9 |
| Residues number | 0 |
| Canonical smiles | OCCOCCN1CCN(CC1)C(=O)c1ccccc1Sc1ccccc1N |
