6-(azepane-1-sulfonyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2722 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 542.74 |
| Molecular Formula: | C29 H42 N4 O4 S |
| Smiles: | CC1CC(C)CN(CCCNC(C2=CN(CC=C)c3ccc(cc3C2=O)S(N2CCCCCC2)(=O)=O)=O)C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7651 |
| logD: | 1.2182 |
| logSw: | -3.9491 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.959 |
| InChI Key: | BXPWSTKATMYOKN-UHFFFAOYSA-N |