8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2340 |
| Compound Name: | 8-chloro-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 418.94 |
| Molecular Formula: | C21 H23 Cl N2 O3 S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1CCc1ccc(c(c1)OC)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3345 |
| logD: | 4.3345 |
| logSw: | -4.612 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.765 |
| InChI Key: | TVDFDQWIFYPJKD-UHFFFAOYSA-N |