8-chloro-N-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
8-chloro-N-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
8-chloro-N-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-2125 |
| Compound Name: | 8-chloro-N-(2,4-dimethylphenyl)-3-(4-ethoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 522.07 |
| Molecular Formula: | C28 H28 Cl N3 O3 S |
| Smiles: | CCOc1ccc(cc1)N1C(NC2C(C(Nc3ccc(C)cc3C)=O)C1(C)Oc1ccc(cc12)[Cl])=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.3893 |
| logD: | 6.3884 |
| logSw: | -6.1215 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.029 |
| InChI Key: | PYHNFSXKCUXDHR-UHFFFAOYSA-N |