6-[(benzenesulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(benzenesulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(benzenesulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0074 |
| Compound Name: | 6-[(benzenesulfonyl)amino]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 626 |
| Molecular Formula: | C28 H28 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.435 |
| logD: | 3.4909 |
| logSw: | -5.6396 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.502 |
| InChI Key: | QGVNBBVAYWYMBU-UHFFFAOYSA-N |