4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0350 |
| Compound Name: | 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.61 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(ccc1N1CCN(CC1)c1ccc(cc1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0793 |
| logD: | 2.6387 |
| logSw: | -5.3237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | RSAMWUKTZSELOW-UHFFFAOYSA-N |