{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4-dimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4-dimethoxyphenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4-dimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | E687-0862 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4-dimethoxyphenyl)methanone |
| Molecular Weight: | 499.36 |
| Molecular Formula: | C23 H23 Br N4 O4 |
| Smiles: | COc1ccc(cc1OC)C(N1CCN(CC1)C(c1cc(c2ccc(cc2)[Br])n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2417 |
| logD: | 3.2412 |
| logSw: | -3.4233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.093 |
| InChI Key: | ORXFXAJKFYSBJT-UHFFFAOYSA-N |