5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0278 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.56 |
| Molecular Formula: | C22 H26 N4 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 1.6919 |
| logD: | -2.1929 |
| logSw: | -2.608 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.507 |
| InChI Key: | YBIHGGPNYUJUIJ-UHFFFAOYSA-N |