6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0709 |
| Compound Name: | 6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(4-methylpentan-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 648.05 |
| Molecular Formula: | C28 H34 N4 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(C)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(cc1)C(C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1765 |
| logD: | 5.1765 |
| logSw: | -4.838 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.818 |
| InChI Key: | HKLPOMJZTUBZLN-IBGZPJMESA-N |