2-(benzenesulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one
Chemical Structure Depiction of
2-(benzenesulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one
2-(benzenesulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | Y031-1769 |
| Compound Name: | 2-(benzenesulfonyl)-1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}ethan-1-one |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C20 H22 N2 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CS(c1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4173 |
| logD: | 1.2804 |
| logSw: | -2.3792 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.051 |
| InChI Key: | ZCOQDISAFKHWNR-UHFFFAOYSA-N |