1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one
1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0424 |
| Compound Name: | 1-butyl-3-(2,5-dimethylbenzene-1-sulfonyl)-7-(4-ethylpiperazin-1-yl)-6-fluoroquinolin-4(1H)-one |
| Molecular Weight: | 499.65 |
| Molecular Formula: | C27 H34 F N3 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCN(CC)CC1)F)=O)S(c1cc(C)ccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5079 |
| logD: | 4.1029 |
| logSw: | -4.2066 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.001 |
| InChI Key: | WPAFIPOCVPIAEE-UHFFFAOYSA-N |