4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0104 |
| Compound Name: | 4-[4-(2-chlorophenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.98 |
| Molecular Formula: | C23 H21 Cl F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O)c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2943 |
| logD: | 2.1359 |
| logSw: | -5.4388 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.709 |
| InChI Key: | IKRFFOQZLBBARS-UHFFFAOYSA-N |