3-(2-methylbenzamido)-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(2-methylbenzamido)-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-(2-methylbenzamido)-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0360 |
| Compound Name: | 3-(2-methylbenzamido)-4-(4-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C21 H24 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CC1CCN(CC1)c1ccc(cc1NC(c1ccccc1C)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7688 |
| logD: | 2.8745 |
| logSw: | -4.2705 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.192 |
| InChI Key: | ZGEZNIAFCOUZQP-UHFFFAOYSA-N |