N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclopentan]-4-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclopentan]-4-yl)sulfanyl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclopentan]-4-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | K783-6163 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclopentan]-4-yl)sulfanyl]acetamide |
| Molecular Weight: | 485.64 |
| Molecular Formula: | C27 H35 N O5 S |
| Smiles: | CCOc1ccc2c(c1)C(CC1(CCCC1)O2)SCC(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0661 |
| logD: | 4.0661 |
| logSw: | -4.1743 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.766 |
| InChI Key: | LTEYPMPLZGCFOC-VWLOTQADSA-N |