N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)piperidine-3-carboxamide
N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)piperidine-3-carboxamide
Compound characteristics
Compound ID: | E589-5231 |
Compound Name: | N-[3-(methylsulfanyl)phenyl]-1-(2-oxo-1,2-dihydroquinoline-6-sulfonyl)piperidine-3-carboxamide |
Molecular Weight: | 457.57 |
Molecular Formula: | C22 H23 N3 O4 S2 |
Smiles: | CSc1cccc(c1)NC(C1CCCN(C1)S(c1ccc2c(C=CC(N2)=O)c1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.8477 |
logD: | 2.8415 |
logSw: | -3.47 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 79.795 |
InChI Key: | JTBZKCVYLDUUGL-INIZCTEOSA-N |