6-[(4-ethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(4-ethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-ethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0452 |
| Compound Name: | 6-[(4-ethylbenzene-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: | CCc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ncccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5917 |
| logD: | 2.6476 |
| logSw: | -5.3402 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.165 |
| InChI Key: | SXMWNTHXHGWRQU-UHFFFAOYSA-N |