3-(4-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(4-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-(4-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F086-0079 |
| Compound Name: | 3-(4-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 564.56 |
| Molecular Formula: | C25 H30 N4 O4 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1cc(ccc1N1CCN(CC1)CC(N1CCCC1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2935 |
| logD: | 1.3991 |
| logSw: | -3.2568 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.49 |
| InChI Key: | IGNGPSANMYNMCB-UHFFFAOYSA-N |