{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-phenyl-1H-pyrazol-5-yl)methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-phenyl-1H-pyrazol-5-yl)methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-phenyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | E614-0128 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}(3-phenyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 390.44 |
| Molecular Formula: | C22 H22 N4 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(c2ccccc2)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1588 |
| logD: | 2.9662 |
| logSw: | -3.2337 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.032 |
| InChI Key: | PXFSNQRFZPHBBB-UHFFFAOYSA-N |