5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F684-0266 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(2,5-dimethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 556.56 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(C)c(c1)S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6313 |
| logD: | -1.2535 |
| logSw: | -2.9986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.333 |
| InChI Key: | BXZGLTVFSBWCFM-UHFFFAOYSA-N |