5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0021 |
| Compound Name: | 5-[4-(2-cyanoethyl)piperazin-1-yl]-2-[(4-fluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 546.5 |
| Molecular Formula: | C20 H21 F N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C(CN1CCN(CC1)c1ccc(c(c1)C(O)=O)NS(c1ccc(cc1)F)(=O)=O)C#N |
| Stereo: | ACHIRAL |
| logP: | 1.8946 |
| logD: | -1.9902 |
| logSw: | -2.8064 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.333 |
| InChI Key: | WHKHXYYSHIBKSG-UHFFFAOYSA-N |