2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 3448-7251 |
| Compound Name: | 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 329.46 |
| Molecular Formula: | C18 H23 N3 O S |
| Smiles: | C1CCc2cc(C#N)c(nc2CC1)SCC(N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6679 |
| logD: | 3.6679 |
| logSw: | -3.7391 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.915 |
| InChI Key: | WIJJHUDTUWYRDT-UHFFFAOYSA-N |