{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-methoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-methoxyphenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-methoxyphenyl)methanone
Compound characteristics
| Compound ID: | E687-0727 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(2-methoxyphenyl)methanone |
| Molecular Weight: | 469.34 |
| Molecular Formula: | C22 H21 Br N4 O3 |
| Smiles: | COc1ccccc1C(N1CCN(CC1)C(c1cc(c2ccc(cc2)[Br])n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5843 |
| logD: | 3.5838 |
| logSw: | -3.7772 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.463 |
| InChI Key: | DAGRZGXPKIQXAI-UHFFFAOYSA-N |