2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0643 |
| Compound Name: | 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid |
| Molecular Weight: | 658.02 |
| Molecular Formula: | C29 H29 F N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccc(cc1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.985 |
| logD: | 4.0409 |
| logSw: | -5.6328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.803 |
| InChI Key: | VMLMSAVQFGMRFX-UHFFFAOYSA-N |