6-(azepane-1-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | C519-1628 |
Compound Name: | 6-(azepane-1-sulfonyl)-1-ethyl-N-[(furan-2-yl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
Molecular Weight: | 457.55 |
Molecular Formula: | C23 H27 N3 O5 S |
Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCc1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 3.1336 |
logD: | 3.1334 |
logSw: | -3.6646 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.763 |
InChI Key: | JIGPFXZXYSFAGH-UHFFFAOYSA-N |