3,8-diethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3,8-diethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3,8-diethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2816 |
| Compound Name: | 3,8-diethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 276.4 |
| Molecular Formula: | C15 H20 N2 O S |
| Smiles: | CCc1ccc2c(c1)C1CC(C)(N(CC)C(N1)=S)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7003 |
| logD: | 3.7003 |
| logSw: | -4.0076 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5222 |
| InChI Key: | BKJPOWVXWDUADV-UHFFFAOYSA-N |