2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzoic acid
Chemical Structure Depiction of
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzoic acid
2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzoic acid
Compound characteristics
| Compound ID: | 8011-9594 |
| Compound Name: | 2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}benzoic acid |
| Molecular Weight: | 279.36 |
| Molecular Formula: | C14 H17 N O3 S |
| Smiles: | C1CCN(CC1)C(CSc1ccccc1C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2301 |
| logD: | -0.3813 |
| logSw: | -2.4733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.768 |
| InChI Key: | CNQMXDHBVWJPBP-UHFFFAOYSA-N |