3-(4-bromo-3-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
3-(4-bromo-3-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(4-bromo-3-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0018 |
| Compound Name: | 3-(4-bromo-3-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 389.31 |
| Molecular Formula: | C18 H17 Br N2 O S |
| Smiles: | Cc1cc(ccc1[Br])N1C(NC2CC1(C)Oc1ccccc12)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9061 |
| logD: | 4.9061 |
| logSw: | -4.7151 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | VBPUIZXJPPZGIA-UHFFFAOYSA-N |