Base information
| Cat. No. | |
| CAS No. | 28172-08-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H20N4O4 |
| Molecular Weight | 392.408 |
| Exact Mass | 392.148 |
| XLogP3 | 1.86016 |
| Mr | 110.534 |
| PSA | 127.19 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 50 |
| Ring number | 2 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCN1C(=O)C(=CC=Cc2c(C)c(C#N)c(=O)n(c2O)CC)C(=C(C1=O)C#N)C |
