Base information
| Cat. No. | |
| CAS No. | 688335-72-0 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H19N3O4S |
| Molecular Weight | 397.448 |
| Exact Mass | 397.11 |
| XLogP3 | 3.4559 |
| Mr | 106.481 |
| PSA | 99.91 |
| Sequence | - |
| Atom number | 47 |
| Bond number | 50 |
| Ring number | 4 |
| Rotor number | 7 |
| Residues number | 0 |
| Canonical smiles | COc1cccc(c1)n1ccnc1SCC(=O)Nc1ccc2c(c1)OCCO2 |
