6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
Chemical Structure Depiction of
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid
Compound characteristics
| Compound ID: | F447-0722 |
| Compound Name: | 6-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid |
| Molecular Weight: | 627.98 |
| Molecular Formula: | C26 H26 N6 O4 S |
| Salt: | 3HCl |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ncccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.414 |
| logD: | 2.4699 |
| logSw: | -5.3192 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.165 |
| InChI Key: | NDHBNMOVQWLVFW-UHFFFAOYSA-N |