3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2439 |
| Compound Name: | 3-(2,3-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 324.44 |
| Molecular Formula: | C19 H20 N2 O S |
| Smiles: | Cc1cccc(c1C)N1C(NC2CC1(C)Oc1ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5578 |
| logD: | 4.5578 |
| logSw: | -4.4388 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6135 |
| InChI Key: | JOBXWRYHIPFENI-UHFFFAOYSA-N |