5-benzamido-2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-benzamido-2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-benzamido-2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0933 |
| Compound Name: | 5-benzamido-2-{4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.99 |
| Molecular Formula: | C26 H26 Cl N3 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1CCOc1ccc(cc1)[Cl])c1ccc(cc1C(O)=O)NC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9403 |
| logD: | 2.6897 |
| logSw: | -4.7709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.826 |
| InChI Key: | ILAHHGVWBVRJFZ-UHFFFAOYSA-N |