ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Chemical Structure Depiction of
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate
Compound characteristics
| Compound ID: | K272-0722 |
| Compound Name: | ethyl 3-[2-(3,4-dimethoxyphenyl)ethyl]-10-methoxy-2-methyl-4-sulfanylidene-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxylate |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C25 H30 N2 O6 S |
| Smiles: | CCOC(C1C2c3cccc(c3OC1(C)N(CCc1ccc(c(c1)OC)OC)C(N2)=S)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9175 |
| logD: | 3.9175 |
| logSw: | -4.0264 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.431 |
| InChI Key: | CZWAGQQDVQLCFY-UHFFFAOYSA-N |