N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4830 |
| Compound Name: | N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-[4-(propan-2-yl)phenyl]-beta-alaninamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | CC(C)c1ccc(cc1)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4851 |
| logD: | 3.4789 |
| logSw: | -3.8399 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.808 |
| InChI Key: | PLNINVDLKOXSLO-UHFFFAOYSA-N |