3-benzamido-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-benzamido-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-benzamido-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0435 |
| Compound Name: | 3-benzamido-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 550.53 |
| Molecular Formula: | C24 H28 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)C(CN1CCN(CC1)c1ccc(cc1NC(c1ccccc1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7651 |
| logD: | 0.8707 |
| logSw: | -3.282 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.49 |
| InChI Key: | YATZOQXAGGWWBC-UHFFFAOYSA-N |