3-(5-chloro-2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(5-chloro-2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(5-chloro-2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2244 |
| Compound Name: | 3-(5-chloro-2-methoxyphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 360.86 |
| Molecular Formula: | C18 H17 Cl N2 O2 S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1cc(ccc1OC)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0477 |
| logD: | 4.0477 |
| logSw: | -4.4962 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2439 |
| InChI Key: | INIMJKRMTMHZBR-UHFFFAOYSA-N |