2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(methanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(methanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(methanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0230 |
| Compound Name: | 2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-6-[(methanesulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 563.93 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8173 |
| logD: | 1.8732 |
| logSw: | -4.386 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.72 |
| InChI Key: | BKDCCTQTSNLJIJ-UHFFFAOYSA-N |