3-(3-methylbenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(3-methylbenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-(3-methylbenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0439 |
| Compound Name: | 3-(3-methylbenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 466.46 |
| Molecular Formula: | C21 H24 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CC1CCCN(C1)c1ccc(cc1NC(c1cccc(C)c1)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.71 |
| logD: | 2.8157 |
| logSw: | -4.2935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.125 |
| InChI Key: | IJVGWCVLHNQGBQ-HNNXBMFYSA-N |