Base information
| Cat. No. | |
| CAS No. | 117977-21-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H21N3O2S |
| Molecular Weight | 343.443 |
| Exact Mass | 343.135 |
| XLogP3 | 3.9739 |
| Mr | 97.0607 |
| PSA | 85.33 |
| Sequence | - |
| Atom number | 45 |
| Bond number | 47 |
| Ring number | 3 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | COCCCOc1ccnc(c1C)CSc1nc2c([nH]1)cccc2 |
