2-(2,2-dimethylpropanamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
Chemical Structure Depiction of
2-(2,2-dimethylpropanamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
2-(2,2-dimethylpropanamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F687-0663 |
| Compound Name: | 2-(2,2-dimethylpropanamido)-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C23 H28 F N3 O3 |
| Smiles: | CC(C)(C)C(Nc1ccc(cc1C(O)=O)N1CCN(CC1)Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.735 |
| logD: | 0.0319 |
| logSw: | -3.9388 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.304 |
| InChI Key: | DQQZJYHYPSWQIB-UHFFFAOYSA-N |