2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0020 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-6-[(4-fluorobenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 592.9 |
| Molecular Formula: | C23 H22 F N5 O4 S |
| Salt: | 3HCl |
| Smiles: | C(CN1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(cc1)F)(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 3.3653 |
| logD: | 0.4212 |
| logSw: | -3.7867 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.825 |
| InChI Key: | RHTGGFKSCMIMKL-UHFFFAOYSA-N |