N-[(4-fluorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-[(4-fluorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4829 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C19 H18 F N3 O4 S |
| Smiles: | C(CNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8763 |
| logD: | 1.8701 |
| logSw: | -2.7714 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.131 |
| InChI Key: | ZDLPNNFZHQUXAZ-UHFFFAOYSA-N |