3-[10-bromo-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
3-[10-bromo-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
3-[10-bromo-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 6848-0821 |
| Compound Name: | 3-[10-bromo-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 487.42 |
| Molecular Formula: | C22 H23 Br N4 O2 S |
| Smiles: | CCCCCCSc1nc2c(c3cc(ccc3NC(c3cccc(c3)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6908 |
| logD: | 6.6753 |
| logSw: | -5.6584 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | NKJHBCKBLCRVQM-HXUWFJFHSA-N |