Base information
| Cat. No. | |
| CAS No. | 66969-81-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H21N7O4S |
| Molecular Weight | 431.469 |
| Exact Mass | 431.138 |
| XLogP3 | 1.8806 |
| Mr | 117.672 |
| PSA | 158.03 |
| Sequence | - |
| Atom number | 51 |
| Bond number | 54 |
| Ring number | 4 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | COc1cc2nc(nc(c2cc1OC)N)N1CCN(CC1)C(=O)c1nnc(o1)SC |
