5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0398 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 556.56 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7962 |
| logD: | -1.0886 |
| logSw: | -3.3648 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.333 |
| InChI Key: | DLMZDJLSPHBMSQ-UHFFFAOYSA-N |