Base information
| Cat. No. | |
| CAS No. | 744254-12-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H28ClNO4 |
| Molecular Weight | 393.904 |
| Exact Mass | 393.171 |
| XLogP3 | 3.2345 |
| Mr | 104.609 |
| PSA | 97.46 |
| Sequence | - |
| Atom number | 55 |
| Bond number | 57 |
| Ring number | 4 |
| Rotor number | 2 |
| Residues number | 0 |
| Canonical smiles | NCC(=O)[C@@]1(O)CC[C@@H]2[C@]1(C)CC(=O)[C@H]1[C@H]2CCC2=CC(=O)C=C[C@]12C.Cl |
