3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Chemical Structure Depiction of
3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Compound characteristics
| Compound ID: | K272-1640 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-ethoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 499.63 |
| Molecular Formula: | C26 H33 N3 O5 S |
| Smiles: | CCOc1cccc2C3C(C(N(C)C)=O)C(C)(N(CCc4ccc(c(c4)OC)OC)C(N3)=S)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1588 |
| logD: | 3.1588 |
| logSw: | -3.5553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.258 |
| InChI Key: | RREOMHYPARURPG-UHFFFAOYSA-N |