3-ethyl-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-ethyl-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-ethyl-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2716 |
| Compound Name: | 3-ethyl-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 266.33 |
| Molecular Formula: | C13 H15 F N2 O S |
| Smiles: | CCN1C(NC2CC1(C)Oc1ccc(cc12)F)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8628 |
| logD: | 2.8628 |
| logSw: | -3.2902 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5222 |
| InChI Key: | XJRHFBLFMLBYCY-UHFFFAOYSA-N |