3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-2-methyl-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]-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2310 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 428.55 |
| Molecular Formula: | C23 H28 N2 O4 S |
| Smiles: | CCOc1cccc2C3CC(C)(N(CCc4ccc(c(c4)OC)OC)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1272 |
| logD: | 4.1272 |
| logSw: | -4.2901 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.66 |
| InChI Key: | WQZJBEIBTZMGTF-UHFFFAOYSA-N |