2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0156 |
| Compound Name: | 2-{[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C15 H20 N2 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(CSc1c(cccn1)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.458 |
| logD: | 0.3597 |
| logSw: | -2.5388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.814 |
| InChI Key: | DLBXMNSPVQKQDI-UHFFFAOYSA-N |