N-(2,4-dimethylphenyl)-10-ethoxy-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
N-(2,4-dimethylphenyl)-10-ethoxy-3-(4-ethoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
N-(2,4-dimethylphenyl)-10-ethoxy-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: | K272-2107 |
| Compound Name: | N-(2,4-dimethylphenyl)-10-ethoxy-3-(4-ethoxyphenyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C30 H33 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(NC2C(C(Nc3ccc(C)cc3C)=O)C1(C)Oc1c2cccc1OCC)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.182 |
| logD: | 6.1812 |
| logSw: | -5.3369 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.924 |
| InChI Key: | WVZVJEXFHXEUGK-UHFFFAOYSA-N |