Base information
| Cat. No. | |
| CAS No. | 101387-97-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C22H25N3O2S |
| Molecular Weight | 395.518 |
| Exact Mass | 395.167 |
| XLogP3 | 4.7051 |
| Mr | 113.374 |
| PSA | 93.17 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 56 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | COc1ccnc(c1C)CSc1nc2c([nH]1)cc1c(c2)C(C)(C)C(=O)C1(C)C |
