Base information
| Cat. No. | |
| CAS No. | 14643-66-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H38N4O8 |
| Molecular Weight | 654.709 |
| Exact Mass | 654.269 |
| XLogP3 | 3.0936 |
| Mr | 190.157 |
| PSA | 205.5 |
| Sequence | - |
| Atom number | 86 |
| Bond number | 90 |
| Ring number | 5 |
| Rotor number | 12 |
| Residues number | 0 |
| Canonical smiles | OC(=O)CCC1=C(C)C2=N/C/1=C\c1[nH]c(c(c1C)CCC(=O)O)/C=C/1\N=C(/C=c/3\[nH]/c(=C\2)/c(CCC(=O)O)c3C)C(=C1CCC(=O)O)C |
