3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(4-methoxy-3-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(4-methoxy-3-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(4-methoxy-3-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6848-0241 |
| Compound Name: | 3-{[(4-chlorophenyl)methyl]sulfanyl}-6-(4-methoxy-3-methylphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C25 H21 Cl N4 O2 S |
| Smiles: | Cc1cc(ccc1OC)C1Nc2ccccc2c2c(nc(nn2)SCc2ccc(cc2)[Cl])O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8947 |
| logD: | 5.8947 |
| logSw: | -6.2021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.656 |
| InChI Key: | DZEKMGXEJBKCQN-QHCPKHFHSA-N |