4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | 4896-3992 |
| Compound Name: | 4-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C25 H22 N4 O4 S |
| Smiles: | COc1cc(cc(c1O)OC)C1Nc2ccccc2c2c(nc(nn2)SCc2ccccc2)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8383 |
| logD: | 3.8284 |
| logSw: | -3.9282 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.766 |
| InChI Key: | MHFATOCICPBSAC-QHCPKHFHSA-N |