10-ethoxy-N-(4-methoxyphenyl)-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
10-ethoxy-N-(4-methoxyphenyl)-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
10-ethoxy-N-(4-methoxyphenyl)-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1089 |
| Compound Name: | 10-ethoxy-N-(4-methoxyphenyl)-2-methyl-3-phenyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 489.59 |
| Molecular Formula: | C27 H27 N3 O4 S |
| Smiles: | CCOc1cccc2C3C(C(Nc4ccc(cc4)OC)=O)C(C)(N(C(N3)=S)c3ccccc3)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8927 |
| logD: | 4.8919 |
| logSw: | -4.5806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.042 |
| InChI Key: | LPEKJZFAZVXQKR-UHFFFAOYSA-N |