8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2770 |
| Compound Name: | 8-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 248.34 |
| Molecular Formula: | C13 H16 N2 O S |
| Smiles: | CCc1ccc2c(c1)C1CC(C)(NC(N1)=S)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8741 |
| logD: | 2.8741 |
| logSw: | -3.3106 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 30.6012 |
| InChI Key: | IYLSQGMFAWNLIA-UHFFFAOYSA-N |