N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxo-1-phenylethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxo-1-phenylethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxo-1-phenylethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | L815-0561 |
| Compound Name: | N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxo-1-phenylethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C27 H29 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NC(C(N1CCCc2ccccc12)=O)c1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9378 |
| logD: | 3.9358 |
| logSw: | -3.966 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.975 |
| InChI Key: | YEXRAUGEHJMVGR-AREMUKBSSA-N |