4-bromo-3-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
4-bromo-3-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
4-bromo-3-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-2658 |
| Compound Name: | 4-bromo-3-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 496.18 |
| Molecular Formula: | C17 H12 Br2 N4 O2 S |
| Smiles: | CSc1nc2c(c3cc(ccc3NC(c3cc(ccc3[Br])O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7371 |
| logD: | 4.7068 |
| logSw: | -4.4555 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | JDRMPGVKQYNAPY-HNNXBMFYSA-N |