2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2,2,2-trifluoroacetamido)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2,2,2-trifluoroacetamido)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2,2,2-trifluoroacetamido)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G890-0666 |
| Compound Name: | 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-(2,2,2-trifluoroacetamido)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 526.37 |
| Molecular Formula: | C18 H16 F4 N4 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1)F)c1c(cc(cn1)NC(C(F)(F)F)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6477 |
| logD: | 1.9071 |
| logSw: | -3.8054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.793 |
| InChI Key: | WCZDPSHMTJIDRA-UHFFFAOYSA-N |