N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4821 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C19 H19 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6079 |
| logD: | 2.6017 |
| logSw: | -3.2418 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.808 |
| InChI Key: | UTXYXDPYMVDYLW-UHFFFAOYSA-N |