N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4771 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | Cc1ccc(CNC(CCNS(c2ccc3c(C=CC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2706 |
| logD: | 2.2644 |
| logSw: | -2.9919 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 91.131 |
| InChI Key: | VWHGDRFJEKRHEC-UHFFFAOYSA-N |