5-(2-fluorobenzamido)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-fluorobenzamido)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(2-fluorobenzamido)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0687 |
| Compound Name: | 5-(2-fluorobenzamido)-2-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.45 |
| Molecular Formula: | C22 H20 F N5 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1C(O)=O)NC(c1ccccc1F)=O)c1ncccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.6366 |
| logD: | 1.386 |
| logSw: | -3.9246 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.512 |
| InChI Key: | KEFHKDOCSBMZHR-UHFFFAOYSA-N |