2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0518 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 446.5 |
| Molecular Formula: | C21 H23 F N4 O4 S |
| Smiles: | Cc1ccc(cc1S(Nc1ccc(c(c1)C(O)=O)N1CCN(CCC#N)CC1)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 2.6435 |
| logD: | 0.5279 |
| logSw: | -3.0682 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | KARJPEKLJYVZKG-UHFFFAOYSA-N |