5-(2-chlorobenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(2-chlorobenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(2-chlorobenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1237 |
| Compound Name: | 5-(2-chlorobenzamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.98 |
| Molecular Formula: | C24 H28 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)CC1CCCN(C1)c1ccc(cc1C(O)=O)NC(c1ccccc1[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.237 |
| logD: | 4.237 |
| logSw: | -4.1937 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.921 |
| InChI Key: | DVAOKDMAZYGAQP-QGZVFWFLSA-N |