10-methoxy-2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
10-methoxy-2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
10-methoxy-2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2457 |
| Compound Name: | 10-methoxy-2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 372.51 |
| Molecular Formula: | C19 H20 N2 O2 S2 |
| Smiles: | CC12CC(c3cccc(c3O2)OC)NC(N1c1cccc(c1)SC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9462 |
| logD: | 3.9462 |
| logSw: | -4.2137 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2291 |
| InChI Key: | XPIFYNKZYOMWAU-UHFFFAOYSA-N |