6-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0374 |
| Compound Name: | 6-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 627.98 |
| Molecular Formula: | C26 H26 N6 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ncccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5404 |
| logD: | 2.5963 |
| logSw: | -5.2353 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.165 |
| InChI Key: | ACTGYRRKECTRRD-UHFFFAOYSA-N |