2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(ethanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(ethanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(ethanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0116 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(ethanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 577.96 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CCS(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1cc(C)ccc1C)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5603 |
| logD: | 2.6162 |
| logSw: | -5.3162 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.401 |
| InChI Key: | YGNBKTCAKUHVKK-UHFFFAOYSA-N |