8-bromo-N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-bromo-N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-bromo-N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-2157 |
| Compound Name: | 8-bromo-N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 474.42 |
| Molecular Formula: | C22 H24 Br N3 O2 S |
| Smiles: | CCN1C(NC2C(C(Nc3ccc(C)cc3C)=O)C1(C)Oc1ccc(cc12)[Br])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3215 |
| logD: | 5.3212 |
| logSw: | -5.1905 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.513 |
| InChI Key: | LCNULEUZETYHOQ-UHFFFAOYSA-N |