5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Chemical Structure Depiction of
5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0508 |
| Compound Name: | 5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}-2-(3-methylbutanamido)benzoic acid |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C23 H28 F N3 O3 |
| Smiles: | CC(C)CC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)Cc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.744 |
| logD: | 0.0409 |
| logSw: | -3.9526 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.091 |
| InChI Key: | JWCIYACPGAECPT-UHFFFAOYSA-N |