4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0315 |
| Compound Name: | 4-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methylbenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.51 |
| Molecular Formula: | C25 H24 F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1cc(ccc1N1CCN(CC1)c1ccccc1F)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4044 |
| logD: | 3.51 |
| logSw: | -5.2499 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.151 |
| InChI Key: | ITBHYTINGRQUNC-UHFFFAOYSA-N |