2-[4-(2,5-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-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0555 |
| Compound Name: | 2-[4-(2,5-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(C)c(c1)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cc(ccc1C)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0569 |
| logD: | 4.1128 |
| logSw: | -5.5902 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.502 |
| InChI Key: | HDXCSUPIFYOXFA-UHFFFAOYSA-N |