N-(2,4-dimethylphenyl)-8-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-8-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-8-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1250 |
| Compound Name: | N-(2,4-dimethylphenyl)-8-methoxy-2-methyl-3-(4-methylphenyl)-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C28 H29 N3 O3 S |
| Smiles: | Cc1ccc(cc1)N1C(NC2C(C(Nc3ccc(C)cc3C)=O)C1(C)Oc1ccc(cc12)OC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.8365 |
| logD: | 5.8356 |
| logSw: | -5.4073 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.449 |
| InChI Key: | JJDKZFMUXGCCIS-UHFFFAOYSA-N |