ethyl {2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Chemical Structure Depiction of
ethyl {2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
ethyl {2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate
Compound characteristics
| Compound ID: | 1927-6631 |
| Compound Name: | ethyl {2-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenoxy}acetate |
| Molecular Weight: | 424.48 |
| Molecular Formula: | C21 H20 N4 O4 S |
| Smiles: | CCOC(COc1ccccc1C1Nc2ccccc2c2c(nc(nn2)SC)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6371 |
| logD: | 3.6371 |
| logSw: | -3.8667 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.042 |
| InChI Key: | YQXOPZZAPORVME-IBGZPJMESA-N |