5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0012 |
| Compound Name: | 5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 597.59 |
| Molecular Formula: | C25 H26 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1784 |
| logD: | 1.2936 |
| logSw: | -4.8479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | KCJKRNFODYCWIH-UHFFFAOYSA-N |