Base information
| Cat. No. | |
| CAS No. | 781661-94-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H21BrN4O3 |
| Molecular Weight | 445.31 |
| Exact Mass | 444.08 |
| XLogP3 | -1.0286 |
| Mr | 115.645 |
| PSA | 76.83 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 51 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COCCN1C(C)[NH+](C2=C1C(=O)c1c(C2=O)cccc1)Cc1cnccn1.[Br-] |
