N-{3-[methyl(phenyl)amino]propyl}-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-{3-[methyl(phenyl)amino]propyl}-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-{3-[methyl(phenyl)amino]propyl}-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
| Compound ID: | C597-0246 |
| Compound Name: | N-{3-[methyl(phenyl)amino]propyl}-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
| Molecular Weight: | 520.65 |
| Molecular Formula: | C28 H32 N4 O4 S |
| Smiles: | CN(CCCNC(C(Cc1ccccc1)NS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.815 |
| logD: | 2.8079 |
| logSw: | -3.5949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.121 |
| InChI Key: | RKSWQXGRNDCOOM-SANMLTNESA-N |