3-(butylsulfanyl)-6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(butylsulfanyl)-6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(butylsulfanyl)-6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | Y508-1629 |
| Compound Name: | 3-(butylsulfanyl)-6-(2-chloro-6-fluorophenyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 416.9 |
| Molecular Formula: | C20 H18 Cl F N4 O S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3c(cccc3[Cl])F)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3938 |
| logD: | 5.3938 |
| logSw: | -5.9433 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.297 |
| InChI Key: | YTCLPBAOVWGKSK-SFHVURJKSA-N |