1-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one
1-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | E687-0532 |
| Compound Name: | 1-{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 483.36 |
| Molecular Formula: | C23 H23 Br N4 O3 |
| Smiles: | COc1ccc(CC(N2CCN(CC2)C(c2cc(c3ccc(cc3)[Br])n[nH]2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9632 |
| logD: | 3.9627 |
| logSw: | -4.1886 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.849 |
| InChI Key: | HWNQGAHCXCFKGS-UHFFFAOYSA-N |