5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-(4-methylbenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-(4-methylbenzamido)benzoic acid
5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-(4-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0074 |
| Compound Name: | 5-{4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl}-2-(4-methylbenzamido)benzoic acid |
| Molecular Weight: | 490.53 |
| Molecular Formula: | C27 H27 F N4 O4 |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3639 |
| logD: | 0.2476 |
| logSw: | -4.1377 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.182 |
| InChI Key: | MDXHDQMWEADCSX-UHFFFAOYSA-N |