3-[2-(3,4-dimethoxyphenyl)ethyl]-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-[2-(3,4-dimethoxyphenyl)ethyl]-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2400 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 398.52 |
| Molecular Formula: | C22 H26 N2 O3 S |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(CCc3ccc(c(c3)OC)OC)C(N1)=S)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0781 |
| logD: | 4.0781 |
| logSw: | -4.2841 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.765 |
| InChI Key: | MXNDNEHADQTASD-UHFFFAOYSA-N |