Base information
| Cat. No. | |
| CAS No. | 850879-09-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C23H21N5O3S |
| Molecular Weight | 447.51 |
| Exact Mass | 447.137 |
| XLogP3 | 3.6952 |
| Mr | 131.52 |
| PSA | 107.98 |
| Sequence | - |
| Atom number | 53 |
| Bond number | 58 |
| Ring number | 6 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | S=C(N1CCN(CC1)c1ncnc2c1oc1c2cccc1)NCc1ccc2c(c1)OCO2 |
