1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]ethan-1-one
1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | C538-0907 |
| Compound Name: | 1-(3,5-dimethylpiperidin-1-yl)-2-[(6-ethoxy-3,4-dihydrospiro[[1]benzopyran-2,1'-cyclohexan]-4-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 431.64 |
| Molecular Formula: | C25 H37 N O3 S |
| Smiles: | CCOc1ccc2c(c1)C(CC1(CCCCC1)O2)SCC(N1CC(C)CC(C)C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.7719 |
| logD: | 5.7719 |
| logSw: | -5.3328 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 29.0855 |
| InChI Key: | FHSMBDPSZGZCQW-UHFFFAOYSA-N |