{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | E687-0592 |
| Compound Name: | {4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 529.39 |
| Molecular Formula: | C24 H25 Br N4 O5 |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)C(c1cc(c2ccc(cc2)[Br])n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4166 |
| logD: | 3.4161 |
| logSw: | -3.6403 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.811 |
| InChI Key: | HGIYBRZQSZSFQX-UHFFFAOYSA-N |