6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0720 |
| Compound Name: | 6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 656.03 |
| Molecular Formula: | C29 H30 N4 O5 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1OC)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2501 |
| logD: | 3.306 |
| logSw: | -5.4317 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.133 |
| InChI Key: | WESHMWAFLCGKST-UHFFFAOYSA-N |