2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Chemical Structure Depiction of
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | F290-0490 |
| Compound Name: | 2-[4-(2-cyanoethyl)piperazin-1-yl]-5-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid |
| Molecular Weight: | 432.47 |
| Molecular Formula: | C20 H21 F N4 O4 S |
| Smiles: | C(CN1CCN(CC1)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)F)(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 2.27 |
| logD: | 0.1544 |
| logSw: | -2.9129 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.73 |
| InChI Key: | GCXMHHDPYHIVOZ-UHFFFAOYSA-N |