1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(phenylmethanesulfonyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(phenylmethanesulfonyl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(phenylmethanesulfonyl)ethan-1-one
Compound characteristics
| Compound ID: | Y030-9204 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(phenylmethanesulfonyl)ethan-1-one |
| Molecular Weight: | 416.49 |
| Molecular Formula: | C21 H24 N2 O5 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CS(Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3047 |
| logD: | 1.1678 |
| logSw: | -2.2322 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.315 |
| InChI Key: | ODVGCCHJPXJUAO-UHFFFAOYSA-N |