5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid
Chemical Structure Depiction of
5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid
5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0361 |
| Compound Name: | 5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbenzamido)benzoic acid |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C26 H26 F N3 O3 |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.515 |
| logD: | 0.3988 |
| logSw: | -4.2118 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.033 |
| InChI Key: | WVUQHLMXFQYWNC-UHFFFAOYSA-N |