2-[benzyl(methyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(methyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(methyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0187 |
| Compound Name: | 2-[benzyl(methyl)amino]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 454.44 |
| Molecular Formula: | C20 H24 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N(C)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1669 |
| logD: | 2.2006 |
| logSw: | -4.094 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.45 |
| InChI Key: | FNADSORKFPVFOK-UHFFFAOYSA-N |