2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2,6-dibromo-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-0903 |
| Compound Name: | 2,6-dibromo-4-[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(c3ccccc3NC(c3cc(c(c(c3)[Br])O)[Br])O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2839 |
| logD: | 3.869 |
| logSw: | -4.2611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.777 |
| InChI Key: | ULTNWGABTGMDHB-HNNXBMFYSA-N |