3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-2116 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(2,4-dimethylphenyl)-10-ethoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 545.66 |
| Molecular Formula: | C30 H31 N3 O5 S |
| Smiles: | CCOc1cccc2C3C(C(Nc4ccc(C)cc4C)=O)C(C)(N(Cc4ccc5c(c4)OCO5)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1599 |
| logD: | 6.1597 |
| logSw: | -5.3385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.527 |
| InChI Key: | PTQUFAUGFODENX-UHFFFAOYSA-N |