2-bromo-4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2-bromo-4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2-bromo-4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-4105 |
| Compound Name: | 2-bromo-4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 510.2 |
| Molecular Formula: | C18 H14 Br2 N4 O2 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3ccc(c(c3)[Br])O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0753 |
| logD: | 5.037 |
| logSw: | -4.5415 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.845 |
| InChI Key: | AKNKQIJNHQLBLR-INIZCTEOSA-N |