3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6848-0347 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-[4-(methylsulfanyl)phenyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 479.02 |
| Molecular Formula: | C24 H19 Cl N4 O S2 |
| Smiles: | CSc1ccc(cc1)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1495 |
| logD: | 6.1495 |
| logSw: | -6.4154 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.026 |
| InChI Key: | VKQWWMRGUXNZTL-QFIPXVFZSA-N |