5-(3-chlorobenzamido)-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-chlorobenzamido)-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(3-chlorobenzamido)-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0665 |
| Compound Name: | 5-(3-chlorobenzamido)-2-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 567.92 |
| Molecular Formula: | C24 H21 Cl F N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1)F)c1ccc(cc1C(O)=O)NC(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3024 |
| logD: | 3.0518 |
| logSw: | -5.5299 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.15 |
| InChI Key: | PYFQBIHLSCOCJQ-UHFFFAOYSA-N |