6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0411 |
| Compound Name: | 6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 641.02 |
| Molecular Formula: | C28 H29 N5 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5022 |
| logD: | 3.5581 |
| logSw: | -5.664 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.314 |
| InChI Key: | ISXAMOYWMVKMGW-UHFFFAOYSA-N |