5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
Chemical Structure Depiction of
5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
Compound characteristics
| Compound ID: | F687-0447 |
| Compound Name: | 5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C24 H29 F N4 O4 |
| Smiles: | CCCCC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4308 |
| logD: | -0.2722 |
| logSw: | -3.6839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.24 |
| InChI Key: | NOCZCNXGUNVALA-UHFFFAOYSA-N |