2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid
2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0415 |
| Compound Name: | 2-[4-(2-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid |
| Molecular Weight: | 658.02 |
| Molecular Formula: | C29 H29 F N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0131 |
| logD: | 4.069 |
| logSw: | -5.7201 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.502 |
| InChI Key: | BKGUXBNBLHLHQH-UHFFFAOYSA-N |