4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
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-chloro-6-methoxyphenol
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
Compound characteristics
| Compound ID: | 4896-3465 |
| Compound Name: | 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol |
| Molecular Weight: | 481.75 |
| Molecular Formula: | C18 H14 Br Cl N4 O3 S |
| Smiles: | COc1cc(cc(c1O)[Cl])C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8307 |
| logD: | 4.759 |
| logSw: | -4.5944 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.407 |
| InChI Key: | CNHWYEACSVRIHH-MRXNPFEDSA-N |