2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | G889-0459 |
Compound Name: | 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 543.97 |
Molecular Formula: | C23 H28 Cl N3 O3 |
Salt: | CF3COOH |
Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
Stereo: | ACHIRAL |
logP: | 5.4602 |
logD: | 3.2096 |
logSw: | -5.5499 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.907 |
InChI Key: | VIEVHOAUXWHEPC-UHFFFAOYSA-N |