6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2709 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 581.73 |
| Molecular Formula: | C31 H39 N3 O6 S |
| Smiles: | CCOc1ccc(CCNC(C2=CN(CC=C)c3ccc(cc3C2=O)S(N2CCCCCC2)(=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.5649 |
| logD: | 3.5649 |
| logSw: | -4.0061 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.53 |
| InChI Key: | REEMFUCCVURPRE-UHFFFAOYSA-N |