2-(2,2-dimethylpropanamido)-5-[3-(3-methylphenyl)pyrrolidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(2,2-dimethylpropanamido)-5-[3-(3-methylphenyl)pyrrolidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
2-(2,2-dimethylpropanamido)-5-[3-(3-methylphenyl)pyrrolidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F685-0714 |
| Compound Name: | 2-(2,2-dimethylpropanamido)-5-[3-(3-methylphenyl)pyrrolidin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 494.51 |
| Molecular Formula: | C23 H28 N2 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C1CCN(C1)c1ccc(c(c1)C(O)=O)NC(C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8388 |
| logD: | 1.1358 |
| logSw: | -4.27 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.792 |
| InChI Key: | IHCNEAWYAUMHBM-KRWDZBQOSA-N |