5-{4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
Chemical Structure Depiction of
5-{4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
5-{4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid
Compound characteristics
Compound ID: | F687-0451 |
Compound Name: | 5-{4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl}-2-pentanamidobenzoic acid |
Molecular Weight: | 452.55 |
Molecular Formula: | C25 H32 N4 O4 |
Smiles: | CCCCC(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(NCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9795 |
logD: | -0.7235 |
logSw: | -3.3183 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 82.563 |
InChI Key: | XFQOQINICWRQTO-UHFFFAOYSA-N |