5-(4-methylbenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-methylbenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(4-methylbenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1207 |
| Compound Name: | 5-(4-methylbenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 540.54 |
| Molecular Formula: | C27 H26 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(Nc1ccc(c(c1)C(O)=O)N1CCC(=CC1)c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8407 |
| logD: | 3.8744 |
| logSw: | -5.2464 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.618 |
| InChI Key: | XNHVPWZKQCHFEF-UHFFFAOYSA-N |