5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0192 |
| Compound Name: | 5-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 533.52 |
| Molecular Formula: | C20 H25 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccccc1N1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8057 |
| logD: | -1.3658 |
| logSw: | -3.5297 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.438 |
| InChI Key: | WMKYGLHEPLSSQY-UHFFFAOYSA-N |