Base information
| Cat. No. | |
| CAS No. | 1622335-40-3 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C49H53N3O7S |
| Molecular Weight | 828.026 |
| Exact Mass | 827.36 |
| XLogP3 | 10.255 |
| Mr | 250.524 |
| PSA | 135.51 |
| Sequence | - |
| Atom number | 113 |
| Bond number | 119 |
| Ring number | 7 |
| Rotor number | 17 |
| Residues number | 0 |
| Canonical smiles | O=C(ON1C(=O)CCC1=O)CCCCC[N+]1=C(C=CC=CC=CC=C2N(CCCCS(=O)(=O)[O-])c3c(C2(C)C)c2ccccc2cc3)C(c2c1ccc1c2cccc1)(C)C |
