3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylquinolin-4(1H)-one
3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0612 |
| Compound Name: | 3-(3,5-dimethylbenzene-1-sulfonyl)-6-fluoro-7-[4-(4-fluorophenyl)piperazin-1-yl]-1-methylquinolin-4(1H)-one |
| Molecular Weight: | 523.6 |
| Molecular Formula: | C28 H27 F2 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)S(C1=CN(C)c2cc(c(cc2C1=O)F)N1CCN(CC1)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5433 |
| logD: | 4.5433 |
| logSw: | -4.3712 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.462 |
| InChI Key: | ZGALAHYQIVBRNT-UHFFFAOYSA-N |