2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0490 |
| Compound Name: | 2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.55 |
| Molecular Formula: | C24 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N1CCN(C(C)C1)c1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8416 |
| logD: | 2.5909 |
| logSw: | -4.2545 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.426 |
| InChI Key: | KRYXBIWUUYLTOR-SFHVURJKSA-N |