{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-chlorophenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-chlorophenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-chlorophenyl)methanone
Compound characteristics
| Compound ID: | E687-0787 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-chlorophenyl)methanone |
| Molecular Weight: | 473.76 |
| Molecular Formula: | C21 H18 Br Cl N4 O2 |
| Smiles: | C1CN(CCN1C(c1ccccc1[Cl])=O)C(c1cc(c2ccc(cc2)[Br])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1155 |
| logD: | 4.1149 |
| logSw: | -4.3733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.833 |
| InChI Key: | PBDOQLJPYWSQIJ-UHFFFAOYSA-N |