3-(3-methylbenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(3-methylbenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-(3-methylbenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0313 |
| Compound Name: | 3-(3-methylbenzamido)-4-[4-(pyrimidin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.49 |
| Molecular Formula: | C23 H23 N5 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1cc(ccc1N1CCN(CC1)c1ncccn1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3905 |
| logD: | 2.4962 |
| logSw: | -4.1017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.814 |
| InChI Key: | KBOBUXPZELFKQN-UHFFFAOYSA-N |