{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(thiophen-2-yl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(thiophen-2-yl)-1H-pyrazol-5-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(thiophen-2-yl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E614-0058 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(thiophen-2-yl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(c2cccs2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9279 |
| logD: | 2.7355 |
| logSw: | -3.2463 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.051 |
| InChI Key: | HQRFGSMBNPVXGI-UHFFFAOYSA-N |