3-[(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
Chemical Structure Depiction of
3-[(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
3-[(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid
Compound characteristics
| Compound ID: | 8012-7339 |
| Compound Name: | 3-[(6-bromo-3-butyl-2-methylquinolin-4-yl)sulfanyl]propanoic acid |
| Molecular Weight: | 382.32 |
| Molecular Formula: | C17 H20 Br N O2 S |
| Smiles: | CCCCc1c(c2cc(ccc2nc1C)[Br])SCCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8992 |
| logD: | 2.2292 |
| logSw: | -4.5574 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.53 |
| InChI Key: | OJXCEQHDIRWCMK-UHFFFAOYSA-N |