5-(4-chlorobenzamido)-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-chlorobenzamido)-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)benzoic acid--trifluoroacetic acid (1/1)
5-(4-chlorobenzamido)-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0558 |
| Compound Name: | 5-(4-chlorobenzamido)-2-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 546.93 |
| Molecular Formula: | C25 H21 Cl N2 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CC=C1c1ccccc1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.7683 |
| logD: | 3.802 |
| logSw: | -5.6965 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.618 |
| InChI Key: | WXWLYNGJIUYNBA-UHFFFAOYSA-N |