3-(4-bromobenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-(4-bromobenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
3-(4-bromobenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F085-0863 |
| Compound Name: | 3-(4-bromobenzamido)-4-(3-methylpiperidin-1-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.32 |
| Molecular Formula: | C20 H21 Br N2 O3 |
| Salt: | CF3COOH |
| Smiles: | CC1CCCN(C1)c1ccc(cc1NC(c1ccc(cc1)[Br])=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1729 |
| logD: | 3.2785 |
| logSw: | -4.8981 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.125 |
| InChI Key: | JMPTWKQHLUYFEA-ZDUSSCGKSA-N |