N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4806 |
| Compound Name: | N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(2-phenylethyl)-beta-alaninamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | C(CNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)C(NCCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6219 |
| logD: | 1.6157 |
| logSw: | -2.5493 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.972 |
| InChI Key: | IFXRISNCUJUWEM-UHFFFAOYSA-N |