3-(benzylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(benzylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(benzylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 5704-0112 |
| Compound Name: | 3-(benzylsulfanyl)-6-(4-ethoxy-3-methoxyphenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 472.57 |
| Molecular Formula: | C26 H24 N4 O3 S |
| Smiles: | CCOc1ccc(cc1OC)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8132 |
| logD: | 4.8132 |
| logSw: | -4.6069 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.867 |
| InChI Key: | DTRGRMUYHVBCMD-DEOSSOPVSA-N |