3-(3-chloro-4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(3-chloro-4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(3-chloro-4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0003 |
| Compound Name: | 3-(3-chloro-4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 348.82 |
| Molecular Formula: | C17 H14 Cl F N2 O S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1ccc(c(c1)[Cl])F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1812 |
| logD: | 4.1812 |
| logSw: | -4.6055 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | IXZQOORXKXHNBP-UHFFFAOYSA-N |