2-[4-(pyrimidin-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-(pyrimidin-2-yl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
2-[4-(pyrimidin-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: | F447-0645 |
| Compound Name: | 2-[4-(pyrimidin-2-yl)piperazin-1-yl]-6-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 642 |
| Molecular Formula: | C27 H28 N6 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ncccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9991 |
| logD: | 3.055 |
| logSw: | -5.3459 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.165 |
| InChI Key: | QZKLKBHEFRMYTF-UHFFFAOYSA-N |