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 | 
 
				 
				