N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-{4-[(piperidin-1-yl)methyl]phenyl}-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-{4-[(piperidin-1-yl)methyl]phenyl}-beta-alaninamide
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-{4-[(piperidin-1-yl)methyl]phenyl}-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4908 |
| Compound Name: | N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-{4-[(piperidin-1-yl)methyl]phenyl}-beta-alaninamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | C1CCN(CC1)Cc1ccc(cc1)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5958 |
| logD: | 1.0139 |
| logSw: | -3.1853 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.541 |
| InChI Key: | LZYADMUJDVNBFV-UHFFFAOYSA-N |