8-bromo-3-(3,4-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Chemical Structure Depiction of
8-bromo-3-(3,4-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
8-bromo-3-(3,4-dimethylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocine-4-thione
Compound characteristics
| Compound ID: | F141-0135 |
| Compound Name: | 8-bromo-3-(3,4-dimethylphenyl)-2-methyl-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: | Cc1ccc(cc1C)N1C(NC2CC1(C)Oc1ccc(cc12)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5027 |
| logD: | 5.5027 |
| logSw: | -5.5541 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 19.9144 |
| InChI Key: | PZZKMYNTCGZPIC-UHFFFAOYSA-N |