4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | 4896-3673 |
| Compound Name: | 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol |
| Molecular Weight: | 477.33 |
| Molecular Formula: | C19 H17 Br N4 O4 S |
| Smiles: | COc1cc(cc(c1O)OC)C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.567 |
| logD: | 3.5571 |
| logSw: | -3.8764 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.037 |
| InChI Key: | HZCQGJVJYXMOGB-QGZVFWFLSA-N |