3-(3-bromophenyl)-8-chloro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(3-bromophenyl)-8-chloro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(3-bromophenyl)-8-chloro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | K272-2330 |
| Compound Name: | 3-(3-bromophenyl)-8-chloro-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 409.73 |
| Molecular Formula: | C17 H14 Br Cl N2 O S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0363 |
| logD: | 5.0363 |
| logSw: | -5.1158 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | CXBLLNSRUWHMRZ-UHFFFAOYSA-N |