2-bromo-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenol
Chemical Structure Depiction of
2-bromo-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenol
2-bromo-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenol
Compound characteristics
| Compound ID: | 4896-1133 |
| Compound Name: | 2-bromo-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-methoxyphenol |
| Molecular Weight: | 461.34 |
| Molecular Formula: | C19 H17 Br N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)[Br])O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9403 |
| logD: | 3.8639 |
| logSw: | -3.9293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.407 |
| InChI Key: | YSMQXAGCRCYKCD-KRWDZBQOSA-N |