4-(4-cyclohexylpiperazin-1-yl)-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(4-cyclohexylpiperazin-1-yl)-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
4-(4-cyclohexylpiperazin-1-yl)-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0198 |
| Compound Name: | 4-(4-cyclohexylpiperazin-1-yl)-3-(2-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 539.53 |
| Molecular Formula: | C24 H28 F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CCC(CC1)N1CCN(CC1)c1ccc(cc1NC(c1ccccc1F)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8596 |
| logD: | 4.8596 |
| logSw: | -4.4692 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.285 |
| InChI Key: | KQUCELBHDSFLGK-UHFFFAOYSA-N |