3-(methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2254 |
| Compound Name: | 3-(methylsulfanyl)-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C18 H16 N4 O S2 |
| Smiles: | CSc1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3484 |
| logD: | 4.3484 |
| logSw: | -4.4358 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | OVJPIGPCBMVMBS-INIZCTEOSA-N |