3-[(3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
3-[(3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8012-6532 |
| Compound Name: | 3-[(3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 303.42 |
| Molecular Formula: | C17 H21 N O2 S |
| Smiles: | CCCCc1c(c2ccccc2nc1C)SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0635 |
| logD: | 1.3936 |
| logSw: | -3.8707 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.53 |
| InChI Key: | JQBZUYFFOMONBK-UHFFFAOYSA-N |