8-bromo-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C200-1377 |
| Compound Name: | 8-bromo-3-[4-chloro-3-(trifluoromethyl)phenyl]-2,11-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 491.76 |
| Molecular Formula: | C19 H15 Br Cl F3 N2 O S |
| Smiles: | CC1C2c3cc(ccc3OC1(C)N(C(N2)=S)c1ccc(c(c1)C(F)(F)F)[Cl])[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2361 |
| logD: | 6.2361 |
| logSw: | -6.3991 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5122 |
| InChI Key: | KWFBIXOCISNGOW-UHFFFAOYSA-N |