4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0517 |
| Compound Name: | 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.56 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7994 |
| logD: | 1.0389 |
| logSw: | -3.3994 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.156 |
| InChI Key: | XUTKLQWGDSYCQL-UHFFFAOYSA-N |