N-(butan-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Chemical Structure Depiction of
N-(butan-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
N-(butan-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide
Compound characteristics
Compound ID: | C597-0031 |
Compound Name: | N-(butan-2-yl)-Nalpha-(2-oxo-1,2,3,4-tetrahydroquinoline-6-sulfonyl)phenylalaninamide |
Molecular Weight: | 429.54 |
Molecular Formula: | C22 H27 N3 O4 S |
Smiles: | CCC(C)NC(C(Cc1ccccc1)NS(c1ccc2c(CCC(N2)=O)c1)(=O)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.8722 |
logD: | 2.8709 |
logSw: | -3.5365 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.788 |
InChI Key: | DXZWBURQQGWREY-UHFFFAOYSA-N |