2-bromo-6-ethoxy-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-bromo-6-ethoxy-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-bromo-6-ethoxy-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: | 5704-0590 |
| Compound Name: | 2-bromo-6-ethoxy-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: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CCOc1cc(cc(c1O)[Br])C1Nc2ccccc2c2c(nc(nn2)SCC=C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9048 |
| logD: | 4.8632 |
| logSw: | -4.4365 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.987 |
| InChI Key: | LEAADFKOZYQBMI-IBGZPJMESA-N |