2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0928 |
| Compound Name: | 2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-(4-fluorobenzamido)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.98 |
| Molecular Formula: | C26 H25 Cl F N3 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CCOc1ccc(cc1)[Cl])c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0745 |
| logD: | 2.8238 |
| logSw: | -4.9502 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.826 |
| InChI Key: | XUTVLWLYMOEYKC-UHFFFAOYSA-N |