2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-propanamidobenzoic acid--trifluoroacetic acid (1/1)
2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-propanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0934 |
| Compound Name: | 2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}-5-propanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.94 |
| Molecular Formula: | C22 H26 Cl N3 O4 |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)CCOc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9234 |
| logD: | 1.6727 |
| logSw: | -4.155 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.884 |
| InChI Key: | KKXRSCFRUXHTJH-UHFFFAOYSA-N |