2-[3-(methylsulfanyl)anilino]quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[3-(methylsulfanyl)anilino]quinoline-4-carboxylic acid
2-[3-(methylsulfanyl)anilino]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | K780-0253 |
| Compound Name: | 2-[3-(methylsulfanyl)anilino]quinoline-4-carboxylic acid |
| Molecular Weight: | 310.37 |
| Molecular Formula: | C17 H14 N2 O2 S |
| Smiles: | CSc1cccc(c1)Nc1cc(C(O)=O)c2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6431 |
| logD: | 0.581 |
| logSw: | -4.2576 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.457 |
| InChI Key: | NMSLMFCVNDBREI-UHFFFAOYSA-N |