2-[4-(pyridin-2-yl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
2-[4-(pyridin-2-yl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(pyridin-2-yl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0642 |
| Compound Name: | 2-[4-(pyridin-2-yl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 641.02 |
| Molecular Formula: | C28 H29 N5 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.502 |
| logD: | 3.5579 |
| logSw: | -5.5745 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.314 |
| InChI Key: | ZHVAOECAKMKDOT-UHFFFAOYSA-N |