3-[(benzenesulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0444 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-4-[4-(4-methoxyphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.57 |
| Molecular Formula: | C24 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)c1ccc(cc1NS(c1ccccc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5095 |
| logD: | 1.7708 |
| logSw: | -4.1605 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.554 |
| InChI Key: | GMDLYCFMFPRVFF-UHFFFAOYSA-N |