2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1220 |
| Compound Name: | 2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-pentanamidobenzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 506.52 |
| Molecular Formula: | C24 H28 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCC(Nc1ccc(c(c1)C(O)=O)N1CCC(=CC1)c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1059 |
| logD: | 3.1396 |
| logSw: | -4.6718 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.676 |
| InChI Key: | MBTKNWZZXWOLBC-UHFFFAOYSA-N |