6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0557 |
| Compound Name: | 6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 647.95 |
| Molecular Formula: | C27 H24 F2 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(cc1S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccc(cc1)F)C(O)=O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 6.0496 |
| logD: | 3.1055 |
| logSw: | -5.427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.803 |
| InChI Key: | XPLROSWMYSZTQM-UHFFFAOYSA-N |