3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-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-methoxy-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-methoxy-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: | K272-1615 |
| Compound Name: | 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-N,N,2-trimethyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide |
| Molecular Weight: | 485.6 |
| Molecular Formula: | C25 H31 N3 O5 S |
| Smiles: | CC12C(C(c3cccc(c3O2)OC)NC(N1CCc1ccc(c(c1)OC)OC)=S)C(N(C)C)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6414 |
| logD: | 2.6414 |
| logSw: | -3.1777 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.678 |
| InChI Key: | NDDGYAGJULAZMU-UHFFFAOYSA-N |