2,6-dimethoxy-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Chemical Structure Depiction of
2,6-dimethoxy-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
2,6-dimethoxy-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Compound characteristics
| Compound ID: | 4896-3437 |
| Compound Name: | 2,6-dimethoxy-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | COc1cc(cc(c1O)OC)C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2912 |
| logD: | 3.2813 |
| logSw: | -3.6349 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.037 |
| InChI Key: | XLJGMBUZQHWIEJ-IBGZPJMESA-N |