3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 1927-6591 |
| Compound Name: | 3-(methylsulfanyl)-6-[4-(propan-2-yl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 364.47 |
| Molecular Formula: | C20 H20 N4 O S |
| Smiles: | CC(C)c1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9672 |
| logD: | 4.9672 |
| logSw: | -4.6306 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | LFCNEMUJWOPFGR-SFHVURJKSA-N |