5-(4-ethylpiperazin-1-yl)-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-ethylpiperazin-1-yl)-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-(4-ethylpiperazin-1-yl)-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0432 |
| Compound Name: | 5-(4-ethylpiperazin-1-yl)-2-[(2-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 517.52 |
| Molecular Formula: | C20 H25 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccccc1C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7164 |
| logD: | 2.7164 |
| logSw: | -3.2341 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.588 |
| InChI Key: | HTCNZKFXDJXFDV-UHFFFAOYSA-N |