4-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzonitrile
4-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzonitrile
Compound characteristics
| Compound ID: | P227-2045 |
| Compound Name: | 4-{4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-sulfonyl}benzonitrile |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | COc1cccc(c1)c1cc(C2CCN(CC2)S(c2ccc(C#N)cc2)(=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9943 |
| logD: | 3.9942 |
| logSw: | -4.1394 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.768 |
| InChI Key: | UODQAPFJAUQUNX-UHFFFAOYSA-N |