6-bromo-N-[3-(butylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
6-bromo-N-[3-(butylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
6-bromo-N-[3-(butylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-0903 |
| Compound Name: | 6-bromo-N-[3-(butylsulfanyl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 397.33 |
| Molecular Formula: | C17 H21 Br N2 O2 S |
| Smiles: | CCCCSCCCNC(C1=CC(Nc2ccc(cc12)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.53 |
| logD: | 3.5201 |
| logSw: | -3.7919 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.586 |
| InChI Key: | XUGALRWLEKTSJJ-UHFFFAOYSA-N |