8-bromo-2-methyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-2-methyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-2-methyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0147 |
| Compound Name: | 8-bromo-2-methyl-3-(2-phenylethyl)-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 403.34 |
| Molecular Formula: | C19 H19 Br N2 O S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1CCc1ccccc1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9449 |
| logD: | 4.9449 |
| logSw: | -4.7244 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 20.5043 |
| InChI Key: | SITORGMATBYKKC-UHFFFAOYSA-N |