3-[4-chloro-3-(trifluoromethyl)phenyl]-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-[4-chloro-3-(trifluoromethyl)phenyl]-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-[4-chloro-3-(trifluoromethyl)phenyl]-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2700 |
| Compound Name: | 3-[4-chloro-3-(trifluoromethyl)phenyl]-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 416.82 |
| Molecular Formula: | C18 H13 Cl F4 N2 O S |
| Smiles: | CC12CC(c3cc(ccc3O2)F)NC(N1c1ccc(c(c1)C(F)(F)F)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1308 |
| logD: | 5.1308 |
| logSw: | -5.5727 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | QQHFLUVYWMWOSS-UHFFFAOYSA-N |