5-(4-fluorobenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-fluorobenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
5-(4-fluorobenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1209 |
| Compound Name: | 5-(4-fluorobenzamido)-2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 544.5 |
| Molecular Formula: | C26 H23 F N2 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C1CCN(CC=1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4464 |
| logD: | 3.4801 |
| logSw: | -5.1877 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.618 |
| InChI Key: | XIRWBGQDKHEPIM-UHFFFAOYSA-N |