2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1213 |
| Compound Name: | 2-[4-(2-methylphenyl)-3,6-dihydropyridin-1(2H)-yl]-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.54 |
| Molecular Formula: | C24 H22 N2 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1C1CCN(CC=1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3299 |
| logD: | 3.3636 |
| logSw: | -5.0982 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.636 |
| InChI Key: | UGFNFTRRKWBLMX-UHFFFAOYSA-N |