4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile
4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | S056-0217 |
| Compound Name: | 4-{4-[(6-ethoxypyridin-3-yl)methyl]piperazine-1-carbonyl}benzonitrile |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | CCOc1ccc(CN2CCN(CC2)C(c2ccc(C#N)cc2)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.8677 |
| logD: | 1.8658 |
| logSw: | -2.1571 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 53.645 |
| InChI Key: | KLIVDSRTHIBOOC-UHFFFAOYSA-N |