5-propanamido-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-propanamido-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-propanamido-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1246 |
| Compound Name: | 5-propanamido-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 473.49 |
| Molecular Formula: | C20 H29 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCC(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6599 |
| logD: | 2.6599 |
| logSw: | -3.183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.979 |
| InChI Key: | LTZCGXMECWIALX-OAHLLOKOSA-N |