2,8-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
2,8-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
2,8-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2484 |
| Compound Name: | 2,8-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C19 H20 N2 O S2 |
| Smiles: | Cc1ccc2c(c1)C1CC(C)(N(C(N1)=S)c1cccc(c1)SC)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4145 |
| logD: | 4.4145 |
| logSw: | -4.4298 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | BKCWWZDCLULNRL-UHFFFAOYSA-N |