3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenol
Chemical Structure Depiction of
3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenol
3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenol
Compound characteristics
| Compound ID: | 5704-0123 |
| Compound Name: | 3-[3-(benzylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromophenol |
| Molecular Weight: | 493.38 |
| Molecular Formula: | C23 H17 Br N4 O2 S |
| Smiles: | C(c1ccccc1)Sc1nc2c(c3ccccc3NC(c3cc(ccc3[Br])O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0084 |
| logD: | 4.9781 |
| logSw: | -4.6354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.643 |
| InChI Key: | LQGCZLUDNMMUSW-NRFANRHFSA-N |