4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0986 |
| Compound Name: | 4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 563.61 |
| Molecular Formula: | C21 H27 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)CC1CCCN(C1)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6464 |
| logD: | 3.6464 |
| logSw: | -3.9303 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.8 |
| InChI Key: | ZUKHZCVDZLUAJB-MRXNPFEDSA-N |