3-(benzylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 7809-0223 |
| Compound Name: | 3-(benzylsulfanyl)-6-methyl[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 334.4 |
| Molecular Formula: | C18 H14 N4 O S |
| Smiles: | CC1=Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | ACHIRAL |
| logP: | 3.2283 |
| logD: | 3.2283 |
| logSw: | -3.7258 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.83 |
| InChI Key: | BKIZBQWFEVCKTJ-UHFFFAOYSA-N |