3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2282 |
| Compound Name: | 3-(butylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 410.56 |
| Molecular Formula: | C21 H22 N4 O S2 |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3ccc(cc3)SC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7661 |
| logD: | 5.7661 |
| logSw: | -5.6031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | VWBGHDUCSGHLDF-IBGZPJMESA-N |