2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-1244 |
| Compound Name: | 2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(thiophene-2-carbonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.56 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)CC1CCCN(C1)c1ccc(cc1C(O)=O)NC(c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6944 |
| logD: | 3.6944 |
| logSw: | -4.005 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.94 |
| InChI Key: | BHMRUCNFPFSHLV-MRXNPFEDSA-N |