6-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-methoxyphenyl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0272 |
| Compound Name: | 6-[(2,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(4-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: | Cc1ccc(C)c(c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccc(cc1)OC)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.366 |
| logD: | 3.4219 |
| logSw: | -5.4112 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.347 |
| InChI Key: | IGZBDJKRABROOR-UHFFFAOYSA-N |