3-(3-chloro-4-methoxyphenyl)-8-fluoro-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-methoxyphenyl)-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(3-chloro-4-methoxyphenyl)-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2701 |
| Compound Name: | 3-(3-chloro-4-methoxyphenyl)-8-fluoro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 378.85 |
| Molecular Formula: | C18 H16 Cl F N2 O2 S |
| Smiles: | CC12CC(c3cc(ccc3O2)F)NC(N1c1ccc(c(c1)[Cl])OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0645 |
| logD: | 4.0645 |
| logSw: | -4.4766 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5448 |
| InChI Key: | LPTBDLVCGNEHJF-UHFFFAOYSA-N |