6-[(3-fluorobenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(3-fluorobenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(3-fluorobenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0478 |
| Compound Name: | 6-[(3-fluorobenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 617.91 |
| Molecular Formula: | C24 H21 F N6 O4 S |
| Salt: | 3HCl |
| Smiles: | C1CN(CCN1c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccc(c1)F)(=O)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.6543 |
| logD: | 1.7102 |
| logSw: | -4.3826 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.165 |
| InChI Key: | BLJFBFSKZBUVKT-UHFFFAOYSA-N |