8-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2799 |
| Compound Name: | 8-ethyl-2-methyl-3-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 392.44 |
| Molecular Formula: | C20 H19 F3 N2 O S |
| Smiles: | CCc1ccc2c(c1)C1CC(C)(N(C(N1)=S)c1cccc(c1)C(F)(F)F)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3833 |
| logD: | 5.3833 |
| logSw: | -5.6376 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | PZBQXBKYHGUHIR-UHFFFAOYSA-N |