5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
Chemical Structure Depiction of
5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
Compound characteristics
| Compound ID: | F687-0440 |
| Compound Name: | 5-{4-[2-oxo-2-(propylamino)ethyl]piperazin-1-yl}-2-pentanamidobenzoic acid |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C21 H32 N4 O4 |
| Smiles: | CCCCC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NCCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0465 |
| logD: | -1.6566 |
| logSw: | -2.9756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 82.675 |
| InChI Key: | BSVUJMGUYBELLA-UHFFFAOYSA-N |