2,6-dimethoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Chemical Structure Depiction of
2,6-dimethoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
2,6-dimethoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol
Compound characteristics
| Compound ID: | 4896-4485 |
| Compound Name: | 2,6-dimethoxy-4-(3-{[(4-methylphenyl)methyl]sulfanyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol |
| Molecular Weight: | 488.56 |
| Molecular Formula: | C26 H24 N4 O4 S |
| Smiles: | Cc1ccc(CSc2nc3c(c4ccccc4NC(c4cc(c(c(c4)OC)O)OC)O3)nn2)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2617 |
| logD: | 4.2518 |
| logSw: | -4.1838 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.766 |
| InChI Key: | HSYPDCIRBDSNBB-DEOSSOPVSA-N |