Base information
| Cat. No. | |
| CAS No. | 550-52-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C33H36N4O4 |
| Molecular Weight | 552.663 |
| Exact Mass | 552.274 |
| XLogP3 | 4.2715 |
| Mr | 173.206 |
| PSA | 130.9 |
| Sequence | - |
| Atom number | 77 |
| Bond number | 81 |
| Ring number | 5 |
| Rotor number | 6 |
| Residues number | 0 |
| Canonical smiles | CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(c1C)C(=O)O)/C(=C/1\N=C(/C=c/3\[nH]/c(=C\2)/c(C=C)c3C)[C@H]([C@@H]1CCC(=O)O)C)/C |
