{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
| Compound ID: | E614-0618 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[3-(4-chlorophenyl)-1H-pyrazol-5-yl]methanone |
| Molecular Weight: | 424.89 |
| Molecular Formula: | C22 H21 Cl N4 O3 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1cc(c2ccc(cc2)[Cl])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8586 |
| logD: | 3.666 |
| logSw: | -4.4639 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.032 |
| InChI Key: | XAGITWPCPVKHPM-UHFFFAOYSA-N |