3-(2,3-dimethylphenyl)-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-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(2,3-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2481 |
| Compound Name: | 3-(2,3-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 338.47 |
| Molecular Formula: | C20 H22 N2 O S |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(C(N1)=S)c1cccc(C)c1C)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9576 |
| logD: | 4.9576 |
| logSw: | -4.72 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.6135 |
| InChI Key: | JWCIRTOYWMQHGM-UHFFFAOYSA-N |