1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)-7-(pyrrolidin-1-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)-7-(pyrrolidin-1-yl)quinolin-4(1H)-one
1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)-7-(pyrrolidin-1-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0116 |
| Compound Name: | 1-butyl-6-fluoro-3-(4-methylbenzene-1-sulfonyl)-7-(pyrrolidin-1-yl)quinolin-4(1H)-one |
| Molecular Weight: | 442.55 |
| Molecular Formula: | C24 H27 F N2 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCCC1)F)=O)S(c1ccc(C)cc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6893 |
| logD: | 4.6893 |
| logSw: | -4.4318 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.831 |
| InChI Key: | XEIBXGQBLKUIPX-UHFFFAOYSA-N |