1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
Chemical Structure Depiction of
1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
Compound characteristics
| Compound ID: | E599-0184 |
| Compound Name: | 1-butyl-3-(3,4-dimethylbenzene-1-sulfonyl)-6-fluoro-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one |
| Molecular Weight: | 485.62 |
| Molecular Formula: | C26 H32 F N3 O3 S |
| Smiles: | CCCCN1C=C(C(c2cc(c(cc12)N1CCN(C)CC1)F)=O)S(c1ccc(C)c(C)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3279 |
| logD: | 4.0096 |
| logSw: | -4.2442 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.941 |
| InChI Key: | VDRGPESQTKXAHG-UHFFFAOYSA-N |