4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Chemical Structure Depiction of
4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol
Compound characteristics
| Compound ID: | 2049-1454 |
| Compound Name: | 4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2,6-dimethoxyphenol |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)OC)O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0322 |
| logD: | 3.0223 |
| logSw: | -3.3357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.037 |
| InChI Key: | YLHZKFUMTVTUKM-SFHVURJKSA-N |