5-(2-chlorobenzamido)-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-chlorobenzamido)-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(2-chlorobenzamido)-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-2211 |
| Compound Name: | 5-(2-chlorobenzamido)-2-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 584.98 |
| Molecular Formula: | C24 H27 Cl N4 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9595 |
| logD: | 0.7088 |
| logSw: | -3.4818 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.188 |
| InChI Key: | IEMSAUKLRZAKTE-UHFFFAOYSA-N |