6-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
Compound ID: | F447-0395 |
Compound Name: | 6-[(3,4-dimethylbenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
Molecular Weight: | 626 |
Molecular Formula: | C28 H28 N4 O4 S |
Salt: | 3HCl |
Smiles: | Cc1ccc(cc1C)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1)C(O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 6.4252 |
logD: | 3.4811 |
logSw: | -5.5898 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.803 |
InChI Key: | DGVYPEWDFBEDFT-UHFFFAOYSA-N |