4-[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-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 6469-0030 |
| Compound Name: | 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 417.28 |
| Molecular Formula: | C17 H13 Br N4 O2 S |
| Smiles: | CSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9444 |
| logD: | 3.9421 |
| logSw: | -4.0754 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | MSHYVTMDMWPUDI-OAHLLOKOSA-N |