3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4302 |
| Compound Name: | 3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 456.44 |
| Molecular Formula: | C22 H15 F3 N4 O2 S |
| Smiles: | CSc1nc2c(c3ccccc3NC(c3ccc(c4cccc(c4)C(F)(F)F)o3)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.507 |
| logD: | 5.507 |
| logSw: | -5.7753 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.697 |
| InChI Key: | KXZMAFBDZILKKM-IBGZPJMESA-N |