2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0165 |
| Compound Name: | 2-({2-[ethyl(3-methylphenyl)amino]-2-oxoethyl}sulfanyl)pyridine-3-carboxylic acid |
| Molecular Weight: | 330.4 |
| Molecular Formula: | C17 H18 N2 O3 S |
| Smiles: | CCN(C(CSc1c(cccn1)C(O)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.2093 |
| logD: | 1.1111 |
| logSw: | -3.2111 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.646 |
| InChI Key: | SWQXJHWCUXFCBM-UHFFFAOYSA-N |