6-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0528 |
| Compound Name: | 6-[(2-chlorobenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 633.38 |
| Molecular Formula: | C25 H22 Cl N5 O4 S |
| Salt: | 3HCl |
| Smiles: | C1CN(CCN1c1ccccn1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccccc1[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3129 |
| logD: | 2.3688 |
| logSw: | -5.5103 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.314 |
| InChI Key: | XIEIJMFMFJRLSU-UHFFFAOYSA-N |