3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0319 |
| Compound Name: | 3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[4-(pyridin-2-yl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.51 |
| Molecular Formula: | C22 H20 F2 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCN1c1ccc(cc1NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O)c1ccccn1 |
| Stereo: | ACHIRAL |
| logP: | 4.5251 |
| logD: | 1.3667 |
| logSw: | -4.2589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.521 |
| InChI Key: | GIHXFAAQRLWEKY-UHFFFAOYSA-N |