8-chloro-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-chloro-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-chloro-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2346 |
| Compound Name: | 8-chloro-3-ethyl-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 282.79 |
| Molecular Formula: | C13 H15 Cl N2 O S |
| Smiles: | CCN1C(NC2CC1(C)Oc1ccc(cc12)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4163 |
| logD: | 3.4163 |
| logSw: | -3.9719 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5222 |
| InChI Key: | NKGZIGPDNXCLIG-UHFFFAOYSA-N |