Base information
| Cat. No. | |
| CAS No. | 155405-80-4 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C16H16N4O3 |
| Molecular Weight | 312.323 |
| Exact Mass | 312.122 |
| XLogP3 | 1.9864 |
| Mr | 86.6583 |
| PSA | 113.86 |
| Sequence | - |
| Atom number | 39 |
| Bond number | 41 |
| Ring number | 3 |
| Rotor number | 5 |
| Residues number | 0 |
| Canonical smiles | COC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)[nH]c(n2)N |
