8-bromo-3-(3-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-3-(3-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-3-(3-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
Compound ID: | K272-2360 |
Compound Name: | 8-bromo-3-(3-bromophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
Molecular Weight: | 454.18 |
Molecular Formula: | C17 H14 Br2 N2 O S |
Smiles: | CC12CC(c3cc(ccc3O2)[Br])NC(N1c1cccc(c1)[Br])=S |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 5.1638 |
logD: | 5.1638 |
logSw: | -5.2419 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 19.9144 |
InChI Key: | XMGUGJPEVYWOKW-UHFFFAOYSA-N |