2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C200-0448 |
| Compound Name: | 2-methyl-3-[3-(methylsulfanyl)phenyl]-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 326.42 |
| Molecular Formula: | C18 H18 N2 O2 S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1cccc(c1)SC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8097 |
| logD: | 3.8097 |
| logSw: | -4.091 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.077 |
| InChI Key: | DFQHEZFHBUPLCX-UHFFFAOYSA-N |