1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | Y207-4327 |
| Compound Name: | 1-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C18 H20 N2 O3 S |
| Smiles: | C(C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)c1cccs1 |
| Stereo: | ACHIRAL |
| logP: | 2.12 |
| logD: | 1.8022 |
| logSw: | -2.7749 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.034 |
| InChI Key: | IZWLMGPYUDLDKC-UHFFFAOYSA-N |