{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Chemical Structure Depiction of
{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
{4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone
Compound characteristics
| Compound ID: | E687-0580 |
| Compound Name: | {4-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]piperazin-1-yl}(3,4,5-trimethoxyphenyl)methanone |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(N1CCN(CC1)C(c1cc(c2cccs2)n[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2467 |
| logD: | 2.2465 |
| logSw: | -2.8846 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.829 |
| InChI Key: | SKPUQVCBOGWRKQ-UHFFFAOYSA-N |