1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(benzylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(benzylsulfanyl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(benzylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | 6040-0676 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(benzylsulfanyl)ethan-1-one |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(CSCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0066 |
| logD: | 2.8765 |
| logSw: | -3.1734 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 37.015 |
| InChI Key: | ZMEJDUGCQVKOQH-UHFFFAOYSA-N |