2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0652 |
| Compound Name: | 2-[4-(4-acetylphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 654.01 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1cccc(C)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4886 |
| logD: | 2.5445 |
| logSw: | -5.2992 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.63 |
| InChI Key: | UXCIYNVRDIHSBO-UHFFFAOYSA-N |