3-(3,4-dimethylphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(3,4-dimethylphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2802 |
| Compound Name: | 3-(3,4-dimethylphenyl)-8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C21 H24 N2 O S |
| Smiles: | CCc1ccc2c(c1)C1CC(C)(N(C(N1)=S)c1ccc(C)c(C)c1)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.6592 |
| logD: | 5.6592 |
| logSw: | -5.5301 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | WMESRXOQOSUNTI-UHFFFAOYSA-N |