N-[3-(methylsulfanyl)phenyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-[3-(methylsulfanyl)phenyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
Compound ID: | C597-0118 |
Compound Name: | N-[3-(methylsulfanyl)phenyl]-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
Molecular Weight: | 495.62 |
Molecular Formula: | C25 H25 N3 O4 S2 |
Smiles: | CSc1cccc(c1)NC(C(Cc1ccccc1)NS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8376 |
logD: | 3.8362 |
logSw: | -4.0269 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 89.753 |
InChI Key: | HAERCKPTEWMTDY-QHCPKHFHSA-N |