6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0719 |
| Compound Name: | 6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 643.99 |
| Molecular Formula: | C28 H27 F N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccc(cc1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4 |
| logD: | 3.4559 |
| logSw: | -5.6289 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.803 |
| InChI Key: | WPZFTIHCFVYCLP-UHFFFAOYSA-N |