4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0720 |
| Compound Name: | 4-{4-[(3-fluorophenyl)methyl]piperazin-1-yl}-3-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 589.58 |
| Molecular Formula: | C22 H22 F N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1Cc1cccc(c1)F)c1ccc(cc1NS(c1cccs1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1568 |
| logD: | 2.2189 |
| logSw: | -4.1684 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.309 |
| InChI Key: | AQCXCSQNHWWBQS-UHFFFAOYSA-N |