2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0418 |
| Compound Name: | 2-[4-(4-methylpentan-2-yl)piperazin-1-yl]-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 648.09 |
| Molecular Formula: | C29 H38 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)CC(C)N1CCN(CC1)c1cc(C(O)=O)c2cc(ccc2n1)NS(c1ccc(cc1)C(C)C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9726 |
| logD: | 6.9726 |
| logSw: | -5.6548 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.991 |
| InChI Key: | OSXIHMOIHNFWSI-NRFANRHFSA-N |