2-[benzyl(ethyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0030 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 468.47 |
| Molecular Formula: | C21 H26 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N(CC)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2314 |
| logD: | 2.2652 |
| logSw: | -4.1255 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.235 |
| InChI Key: | UWQLKEAZBGXUER-UHFFFAOYSA-N |