5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid
Compound characteristics
| Compound ID: | F290-0527 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[4-(2-cyanoethyl)piperazin-1-yl]benzoic acid |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | CC(c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.783 |
| logD: | -0.3326 |
| logSw: | -2.6223 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.557 |
| InChI Key: | SURBIIHCFPUPIH-UHFFFAOYSA-N |