4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0374 |
| Compound Name: | 4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[(3-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.59 |
| Molecular Formula: | C25 H27 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1cc(ccc1N1CCN(CC1)c1ccccc1OC)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9199 |
| logD: | 2.1812 |
| logSw: | -4.4115 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.34 |
| InChI Key: | LUXZWOASMJFMMZ-UHFFFAOYSA-N |