5-(4-ethylpiperazin-1-yl)-2-[(4-propylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-ethylpiperazin-1-yl)-2-[(4-propylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-(4-ethylpiperazin-1-yl)-2-[(4-propylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0524 |
| Compound Name: | 5-(4-ethylpiperazin-1-yl)-2-[(4-propylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9586 |
| logD: | 3.9586 |
| logSw: | -3.797 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.588 |
| InChI Key: | GTBKWXVQNIAQBN-UHFFFAOYSA-N |