N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4791 |
| Compound Name: | N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCNS(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5275 |
| logD: | 1.5213 |
| logSw: | -2.4675 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.786 |
| InChI Key: | RYCPHUYLWRQXAQ-UHFFFAOYSA-N |