3-bromo-5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Chemical Structure Depiction of
3-bromo-5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
3-bromo-5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol
Compound characteristics
| Compound ID: | 4896-4050 |
| Compound Name: | 3-bromo-5-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzene-1,2-diol |
| Molecular Weight: | 526.2 |
| Molecular Formula: | C18 H14 Br2 N4 O3 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3cc(c(c(c3)[Br])O)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5615 |
| logD: | 4.3916 |
| logSw: | -4.0869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.325 |
| InChI Key: | NKUQWAAUDQSSER-INIZCTEOSA-N |