2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0350 |
| Compound Name: | 2-[4-(4-fluorophenyl)piperazin-1-yl]-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 497.59 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CC1)c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8898 |
| logD: | 3.7741 |
| logSw: | -5.3561 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.708 |
| InChI Key: | YHALZOIWFNVJSZ-UHFFFAOYSA-N |