2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0513 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1716 |
| logD: | 1.0559 |
| logSw: | -3.5483 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | UQVGBHCMPXJOSK-UHFFFAOYSA-N |