5-(3-methylbenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(3-methylbenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(3-methylbenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1243 |
| Compound Name: | 5-(3-methylbenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.56 |
| Molecular Formula: | C25 H31 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1529 |
| logD: | 4.1529 |
| logSw: | -4.172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.921 |
| InChI Key: | WABGGIVZPGSNAN-LJQANCHMSA-N |