4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0051 |
| Compound Name: | 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.57 |
| Molecular Formula: | C25 H24 F N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(c1ccc(cc1)N1CCN(CC1)c1ccc(cc1NS(c1ccc(cc1)F)(=O)=O)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2833 |
| logD: | 1.125 |
| logSw: | -4.0868 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.837 |
| InChI Key: | NNBYGSDNIXHNIK-UHFFFAOYSA-N |