N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
Compound ID: | E589-4737 |
Compound Name: | N-[(4-chlorophenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
Molecular Weight: | 419.89 |
Molecular Formula: | C19 H18 Cl N3 O4 S |
Smiles: | C(CNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)C(NCc1ccc(cc1)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 2.4419 |
logD: | 2.4357 |
logSw: | -3.3452 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 91.131 |
InChI Key: | HSOASSIXOLGAKI-UHFFFAOYSA-N |