2,11-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
2,11-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
2,11-dimethyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | C339-0015 |
| Compound Name: | 2,11-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: | CC1C2c3ccccc3OC1(C)N(C(N2)=S)c1cccc(c1)SC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4389 |
| logD: | 4.4389 |
| logSw: | -4.4326 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5122 |
| InChI Key: | XAGQLSGNKZKLJZ-UHFFFAOYSA-N |