2-(4-methylpiperazin-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-methylpiperazin-1-yl)-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-(4-methylpiperazin-1-yl)-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0406 |
| Compound Name: | 2-(4-methylpiperazin-1-yl)-6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 577.96 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(C)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0174 |
| logD: | 5.0174 |
| logSw: | -4.4783 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.019 |
| InChI Key: | KDGFHSIEHSNQAU-UHFFFAOYSA-N |