6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Chemical Structure Depiction of
6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3)
Compound characteristics
| Compound ID: | F447-0414 |
| Compound Name: | 6-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-[4-(pyrimidin-2-yl)piperazin-1-yl]quinoline-4-carboxylic acid--hydrogen chloride (1/3) |
| Molecular Weight: | 642 |
| Molecular Formula: | C27 H28 N6 O4 S |
| Salt: | 3HCl |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc2c(c1)c(cc(n2)N1CCN(CC1)c1ncccn1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9993 |
| logD: | 3.0552 |
| logSw: | -5.4716 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.165 |
| InChI Key: | OWZCGOHKIPTDMM-UHFFFAOYSA-N |