Base information
| Cat. No. | |
| CAS No. | 271576-80-8 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C20H20ClN5O2 |
| Molecular Weight | 397.858 |
| Exact Mass | 397.131 |
| XLogP3 | 2.8233 |
| Mr | 109.926 |
| PSA | 95 |
| Sequence | - |
| Atom number | 48 |
| Bond number | 51 |
| Ring number | 4 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | OCC(=O)N1CCC(CC1)c1n[nH]c(c1c1ccncn1)c1ccc(cc1)Cl |
