6-bromo-N-{[4-(methylsulfanyl)phenyl]methyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
6-bromo-N-{[4-(methylsulfanyl)phenyl]methyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
6-bromo-N-{[4-(methylsulfanyl)phenyl]methyl}-2-(pyridin-3-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | G547-0389 |
| Compound Name: | 6-bromo-N-{[4-(methylsulfanyl)phenyl]methyl}-2-(pyridin-3-yl)quinoline-4-carboxamide |
| Molecular Weight: | 464.38 |
| Molecular Formula: | C23 H18 Br N3 O S |
| Smiles: | CSc1ccc(CNC(c2cc(c3cccnc3)nc3ccc(cc23)[Br])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6273 |
| logD: | 5.6226 |
| logSw: | -5.3694 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.229 |
| InChI Key: | NTWZNWGAOIEIFM-UHFFFAOYSA-N |