6-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0436 |
| Compound Name: | 6-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 654.05 |
| Molecular Formula: | C30 H32 N4 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1768 |
| logD: | 4.2327 |
| logSw: | -5.6522 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.803 |
| InChI Key: | NUYOHOWSEVADSR-UHFFFAOYSA-N |