Base information
| Cat. No. | |
| CAS No. | 111205-55-1 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C18H19N3O2 |
| Molecular Weight | 309.362 |
| Exact Mass | 309.148 |
| XLogP3 | 2.9429 |
| Mr | 89.5377 |
| PSA | 59.91 |
| Sequence | - |
| Atom number | 42 |
| Bond number | 45 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | COc1ccc(cc1)n1nc2-c(c1=O)c[nH]c1c2CCCCC1 |
