3-[(3-butyl-8-methoxy-2-methylquinolin-4-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(3-butyl-8-methoxy-2-methylquinolin-4-yl)sulfanyl]propanoic acid
3-[(3-butyl-8-methoxy-2-methylquinolin-4-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8012-6527 |
| Compound Name: | 3-[(3-butyl-8-methoxy-2-methylquinolin-4-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 333.45 |
| Molecular Formula: | C18 H23 N O3 S |
| Smiles: | CCCCc1c(c2cccc(c2nc1C)OC)SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0882 |
| logD: | 1.4182 |
| logSw: | -4.0755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.931 |
| InChI Key: | GPKRRCPYXLBTHM-UHFFFAOYSA-N |