2-chloro-3-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2-chloro-3-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2-chloro-3-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 6753-0258 |
| Compound Name: | 2-chloro-3-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 372.83 |
| Molecular Formula: | C17 H13 Cl N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3cccc(c3[Cl])O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.983 |
| logD: | 3.7824 |
| logSw: | -3.9983 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.845 |
| InChI Key: | SHCCLTISFYHITE-HNNXBMFYSA-N |