5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F684-0237 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 542.53 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)S(Nc1ccc(cc1C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.289 |
| logD: | -1.5959 |
| logSw: | -2.9273 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.333 |
| InChI Key: | IOMGHFOOFFOFND-UHFFFAOYSA-N |