Base information
| Cat. No. | |
| CAS No. | 5594-29-6 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C36H42N4O6 |
| Molecular Weight | 626.742 |
| Exact Mass | 626.31 |
| XLogP3 | 2.8225 |
| Mr | 187.963 |
| PSA | 149.36 |
| Sequence | - |
| Atom number | 88 |
| Bond number | 92 |
| Ring number | 5 |
| Rotor number | 10 |
| Residues number | 0 |
| Canonical smiles | COC(=O)CCC1=C(C)/C/2=C/c3[nH]c(c(c3C)C(O)C)/C=C/3\N=C(/C=c/4\[nH]/c(=C\C1=N2)/c(CCC(=O)OC)c4C)C(=C3C)C(O)C |
