3-(4-bromophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-(4-bromophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1232 |
| Compound Name: | 3-(4-bromophenyl)-N-(2,4-dimethylphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 522.46 |
| Molecular Formula: | C26 H24 Br N3 O2 S |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C2c3ccccc3OC1(C)N(C(N2)=S)c1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.198 |
| logD: | 6.1971 |
| logSw: | -5.4331 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.906 |
| InChI Key: | CUSPCLVJWZLMDS-UHFFFAOYSA-N |