6-(azepane-1-sulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
Compound ID: | K786-4246 |
Compound Name: | 6-(azepane-1-sulfonyl)-N-[(4-ethylphenyl)methyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
Molecular Weight: | 467.59 |
Molecular Formula: | C25 H29 N3 O4 S |
Smiles: | CCc1ccc(CNC(C2=CC(Nc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.935 |
logD: | 3.8929 |
logSw: | -3.9101 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.515 |
InChI Key: | HMHPNVGAQVEPBW-UHFFFAOYSA-N |