2-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 2049-1841 |
| Compound Name: | 2-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | CCCSc1nc2c(c3ccccc3NC(c3ccccc3O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1066 |
| logD: | 4.1063 |
| logSw: | -3.7017 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.845 |
| InChI Key: | DUABCPAPKQVPKV-KRWDZBQOSA-N |