2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 1927-8600 |
| Compound Name: | 2,4,6-tribromo-3-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 589.1 |
| Molecular Formula: | C18 H13 Br3 N4 O2 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3c(cc(c(c3[Br])O)[Br])[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0105 |
| logD: | 4.6551 |
| logSw: | -5.4098 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.777 |
| InChI Key: | DOZPBKPNNVFGLJ-INIZCTEOSA-N |