1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoroquinolin-4(1H)-one
1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0646 |
| Compound Name: | 1-butyl-3-(3,5-dimethylbenzene-1-sulfonyl)-7-(3,5-dimethylpiperidin-1-yl)-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 498.66 |
| Molecular Formula: | C28 H35 F N2 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CC(C)CC(C)C1)F)=O)S(c1cc(C)cc(C)c1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9449 |
| logD: | 5.9449 |
| logSw: | -5.52 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.332 |
| InChI Key: | MNSBWUCDKAABJG-UHFFFAOYSA-N |