2,6-dimethoxy-4-[3-(pentylsulfanyl)-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-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2,6-dimethoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-2616 |
| Compound Name: | 2,6-dimethoxy-4-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)OC)O)OC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7303 |
| logD: | 4.7203 |
| logSw: | -4.4738 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.037 |
| InChI Key: | KPOGNPJUNXGHJT-NRFANRHFSA-N |