Base information
| Cat. No. | |
| CAS No. | 70546-25-7 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C21H17N3O2S |
| Molecular Weight | 375.444 |
| Exact Mass | 375.104 |
| XLogP3 | 4.78758 |
| Mr | 109.634 |
| PSA | 98.37 |
| Sequence | - |
| Atom number | 44 |
| Bond number | 47 |
| Ring number | 4 |
| Rotor number | 4 |
| Residues number | 0 |
| Canonical smiles | CCN(c1ccc2c(c1)oc(=O)c(c2C#N)c1nc2c(s1)cccc2)CC |
