2-chloro-6-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
2-chloro-6-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2-chloro-6-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-3064 |
| Compound Name: | 2-chloro-6-ethoxy-4-[3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C20 H19 Cl N4 O3 S |
| Smiles: | CCOc1cc(cc(c1O)[Cl])C1Nc2ccccc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0013 |
| logD: | 4.9623 |
| logSw: | -4.7084 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.987 |
| InChI Key: | BKLQMZBFKJKPDD-SFHVURJKSA-N |