3-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenol
Chemical Structure Depiction of
3-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenol
3-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenol
Compound characteristics
| Compound ID: | 6848-0544 |
| Compound Name: | 3-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chlorophenol |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C20 H19 Cl N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cccc(c3[Cl])O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4007 |
| logD: | 5.2001 |
| logSw: | -5.4775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.845 |
| InChI Key: | WUPYEYNJPLNLOH-SFHVURJKSA-N |