Base information
| Cat. No. | |
| CAS No. | 31485-70-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H16N2O5S |
| Molecular Weight | 372.395 |
| Exact Mass | 372.078 |
| XLogP3 | 2.5796 |
| Mr | 98.6238 |
| PSA | 115.95 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 44 |
| Ring number | 3 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc2c(cc1OC)nc(n(c2=O)c1ccccc1)SCC(=O)O |
