5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-methylbutanamido)benzoic acid
Chemical Structure Depiction of
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-methylbutanamido)benzoic acid
5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-methylbutanamido)benzoic acid
Compound characteristics
| Compound ID: | F687-0471 |
| Compound Name: | 5-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-(3-methylbutanamido)benzoic acid |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C23 H28 Cl N3 O3 |
| Smiles: | CC(C)CC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.0511 |
| logD: | 1.348 |
| logSw: | -4.7698 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.51 |
| InChI Key: | VXQGVFQIKURQBU-UHFFFAOYSA-N |