4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0008 |
| Compound Name: | 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-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(CCN1c1cccc(c1)[Cl])c1ccc(cc1NS(c1cccc(c1)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1675 |
| logD: | 2.4287 |
| logSw: | -5.2679 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | FMGVTNRFSIQSCI-UHFFFAOYSA-N |