{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E614-0233 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-ethylphenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 418.49 |
| Molecular Formula: | C24 H26 N4 O3 |
| Smiles: | CCc1ccc(cc1)c1cc(C(N2CCN(CC2)Cc2ccc3c(c2)OCO3)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1945 |
| logD: | 4.0019 |
| logSw: | -4.088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.032 |
| InChI Key: | VFSJERPMNFSKTM-UHFFFAOYSA-N |