5-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid
Chemical Structure Depiction of
5-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid
5-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0363 |
| Compound Name: | 5-{4-[bis(4-fluorophenyl)methyl]piperazin-1-yl}-2-(2-methylpropanamido)benzoic acid |
| Molecular Weight: | 493.55 |
| Molecular Formula: | C28 H29 F2 N3 O3 |
| Smiles: | CC(C)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)C(c1ccc(cc1)F)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2838 |
| logD: | 1.5807 |
| logSw: | -5.0538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.325 |
| InChI Key: | VNMLVUSUIQTWAT-UHFFFAOYSA-N |