2-chloro-6-ethoxy-4-[3-(methylsulfanyl)-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-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
2-chloro-6-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
| Compound ID: | 4896-3027 |
| Compound Name: | 2-chloro-6-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
| Molecular Weight: | 416.88 |
| Molecular Formula: | C19 H17 Cl N4 O3 S |
| Smiles: | CCOc1cc(cc(c1O)[Cl])C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6011 |
| logD: | 4.5621 |
| logSw: | -4.4993 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.987 |
| InChI Key: | OVCSXKFYBVOECU-KRWDZBQOSA-N |