4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol
Chemical Structure Depiction of
4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol
4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol
Compound characteristics
| Compound ID: | 4896-2688 |
| Compound Name: | 4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-ethoxyphenol |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | CCOc1cc(ccc1O)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5695 |
| logD: | 4.567 |
| logSw: | -4.1541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.784 |
| InChI Key: | ZLWVGRPZMBUSMR-QHCPKHFHSA-N |