N-(3,5-dimethylphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-(3,5-dimethylphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4816 |
| Compound Name: | N-(3,5-dimethylphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C20 H21 N3 O4 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8399 |
| logD: | 2.8337 |
| logSw: | -3.426 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.808 |
| InChI Key: | JXBLYXKYBAYPSA-UHFFFAOYSA-N |