3-(2-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
3-(2-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid
3-(2-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F086-0276 |
| Compound Name: | 3-(2-methylbenzamido)-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 450.54 |
| Molecular Formula: | C25 H30 N4 O4 |
| Smiles: | Cc1ccccc1C(Nc1cc(ccc1N1CCN(CC1)CC(N1CCCC1)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0891 |
| logD: | 1.1947 |
| logSw: | -3.3964 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.49 |
| InChI Key: | YILPCDGLTHLKAX-UHFFFAOYSA-N |