2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0664 |
| Compound Name: | 2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-[(3-methylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 642 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Salt: | 3HCl |
| Smiles: | Cc1cccc(c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccc1OC)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8257 |
| logD: | 2.8816 |
| logSw: | -5.4614 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.133 |
| InChI Key: | GFLCVOPRJVUDIM-UHFFFAOYSA-N |