6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0702 |
| Compound Name: | 6-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(pyridin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 640.97 |
| Molecular Formula: | C27 H25 N5 O5 S |
| Salt: | 3HCl |
| Smiles: | CC(c1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ccccn1)C(O)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7061 |
| logD: | 1.762 |
| logSw: | -4.3042 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.141 |
| InChI Key: | HLNMSXIAUDYZHM-UHFFFAOYSA-N |