2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0554 |
| Compound Name: | 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 658.02 |
| Molecular Formula: | C29 H29 F N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(cc1S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cccc(C)c1C)C(O)=O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 7.0226 |
| logD: | 4.0785 |
| logSw: | -5.6473 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.502 |
| InChI Key: | JQLZNKDOSBGEIT-UHFFFAOYSA-N |