5-(4-cyclohexylpiperazin-1-yl)-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0451 |
| Compound Name: | 5-(4-cyclohexylpiperazin-1-yl)-2-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.64 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)C1CCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4166 |
| logD: | 4.4166 |
| logSw: | -4.0258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.268 |
| InChI Key: | KFGGPVNMALLCSO-UHFFFAOYSA-N |