N-(2,4-dimethylphenyl)-10-ethoxy-3-(3-methoxypropyl)-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-(3-methoxypropyl)-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-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1304 |
| Compound Name: | N-(2,4-dimethylphenyl)-10-ethoxy-3-(3-methoxypropyl)-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C26 H33 N3 O4 S |
| Smiles: | CCOc1cccc2C3C(C(Nc4ccc(C)cc4C)=O)C(C)(N(CCCOC)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8809 |
| logD: | 4.8807 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.004 |
| InChI Key: | ZYEXBYDDKWRIGU-UHFFFAOYSA-N |