N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4800 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C20 H21 N3 O6 S |
| Smiles: | COc1ccc(c(c1)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.8304 |
| logD: | 1.8242 |
| logSw: | -2.6154 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 104.285 |
| InChI Key: | CFKPEZBFQGVVIX-UHFFFAOYSA-N |