6-[(4-ethoxybenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(4-ethoxybenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-ethoxybenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0544 |
| Compound Name: | 6-[(4-ethoxybenzene-1-sulfonyl)amino]-2-(4-phenylpiperazin-1-yl)quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 642 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Salt: | 3HCl |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8654 |
| logD: | 2.9213 |
| logSw: | -5.4995 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.927 |
| InChI Key: | XSHKPFFUVPLANV-UHFFFAOYSA-N |