4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F292-0513 |
| Compound Name: | 4-[4-(2-cyanoethyl)piperazin-1-yl]-3-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 556.56 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1cc(ccc1N1CCN(CCC#N)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3611 |
| logD: | 0.6223 |
| logSw: | -3.6974 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.032 |
| InChI Key: | MUPQOGGQZOSYIO-UHFFFAOYSA-N |