3-(4-bromo-3-methylphenyl)-10-methoxy-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)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
3-(4-bromo-3-methylphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0093 |
| Compound Name: | 3-(4-bromo-3-methylphenyl)-10-methoxy-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione |
| Molecular Weight: | 419.34 |
| Molecular Formula: | C19 H19 Br N2 O2 S |
| Smiles: | Cc1cc(ccc1[Br])N1C(NC2CC1(C)Oc1c2cccc1OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8376 |
| logD: | 4.8376 |
| logSw: | -4.7193 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.2291 |
| InChI Key: | CSMRVMUJXADURM-UHFFFAOYSA-N |