2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2227 |
| Compound Name: | 2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 220.29 |
| Molecular Formula: | C11 H12 N2 O S |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9339 |
| logD: | 1.9339 |
| logSw: | -2.2854 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 30.6012 |
| InChI Key: | XRROYJNMXAHSGS-UHFFFAOYSA-N |