2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0520 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 450.46 |
| Molecular Formula: | C20 H20 F2 N4 O4 S |
| Smiles: | C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)F)F)(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.5078 |
| logD: | 0.3922 |
| logSw: | -2.928 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | XCVFHKHLKGEZMH-UHFFFAOYSA-N |