6-(4-ethoxy-3-methylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(4-ethoxy-3-methylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(4-ethoxy-3-methylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3575 |
| Compound Name: | 6-(4-ethoxy-3-methylphenyl)-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C21 H22 N4 O2 S |
| Smiles: | CCOc1ccc(cc1C)C1Nc2ccccc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9379 |
| logD: | 4.9379 |
| logSw: | -4.6903 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.508 |
| InChI Key: | BJVRMYAUTWDLKQ-IBGZPJMESA-N |