3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0481 |
| Compound Name: | 3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(2-fluorophenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 605.51 |
| Molecular Formula: | C23 H20 F3 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O)c1ccccc1F |
| Stereo: | ACHIRAL |
| logP: | 5.036 |
| logD: | 1.8776 |
| logSw: | -4.6293 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.709 |
| InChI Key: | TYWRWSSFGLJLMS-UHFFFAOYSA-N |