N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4909 |
| Compound Name: | N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9864 |
| logD: | 1.5367 |
| logSw: | -3.5938 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.541 |
| InChI Key: | IENMUGRJGKOGAH-UHFFFAOYSA-N |