6-(azepane-1-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2694 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[2-(4-methylphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 507.65 |
| Molecular Formula: | C28 H33 N3 O4 S |
| Smiles: | Cc1ccc(CCNC(C2=CN(CC=C)c3ccc(cc3C2=O)S(N2CCCCCC2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.98 |
| logD: | 3.98 |
| logSw: | -4.116 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.109 |
| InChI Key: | CJGHTFQBVSJVKQ-UHFFFAOYSA-N |