2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K781-0002 |
| Compound Name: | 2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}pyridine-3-carboxylic acid |
| Molecular Weight: | 328.39 |
| Molecular Formula: | C17 H16 N2 O3 S |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1c(cccn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7139 |
| logD: | 0.6157 |
| logSw: | -3.228 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.611 |
| InChI Key: | DWCUYLNBWSGMCD-UHFFFAOYSA-N |