2-[4-(4-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0412 |
| Compound Name: | 2-[4-(4-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)c1ccc(cc1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9852 |
| logD: | 4.0411 |
| logSw: | -5.7145 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.803 |
| InChI Key: | XZOBNAINSABCPL-UHFFFAOYSA-N |