3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F292-0338 |
| Compound Name: | 3-[(2,4-dimethylbenzene-1-sulfonyl)amino]-4-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 597.59 |
| Molecular Formula: | C25 H26 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(c(C)c1)S(Nc1cc(ccc1N1CCN(CC1)c1ccc(cc1)F)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6206 |
| logD: | 2.1801 |
| logSw: | -5.1542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.01 |
| InChI Key: | WDQFNVYTULKYKF-UHFFFAOYSA-N |