Base information
| Cat. No. | |
| CAS No. | 174829-14-2 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C42H51ClN2O4 |
| Molecular Weight | 683.318 |
| Exact Mass | 682.354 |
| XLogP3 | 8.883 |
| Mr | 209.536 |
| PSA | 83.68 |
| Sequence | - |
| Atom number | 100 |
| Bond number | 104 |
| Ring number | 5 |
| Rotor number | 15 |
| Residues number | 0 |
| Canonical smiles | [O-]C(=O)CCCCC[N+]1=C(C=CC2=C(Cl)C(=CC=C3N(CCCCCC(=O)O)c4c(C3(C)C)cccc4)CCC2)C(c2c1cccc2)(C)C |
