N-[(4-methoxyphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
N-[(4-methoxyphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E589-4768 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-N~3~-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C20 H21 N3 O5 S |
| Smiles: | COc1ccc(CNC(CCNS(c2ccc3c(C=CC(N3)=O)c2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.8296 |
| logD: | 1.8234 |
| logSw: | -2.609 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 98.674 |
| InChI Key: | BRBPOXDEYYFYDU-UHFFFAOYSA-N |