3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[3-(ethoxycarbonyl)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[3-(ethoxycarbonyl)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[3-(ethoxycarbonyl)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0134 |
| Compound Name: | 3-[(3,4-difluorobenzene-1-sulfonyl)amino]-4-[3-(ethoxycarbonyl)piperidin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 582.5 |
| Molecular Formula: | C21 H22 F2 N2 O6 S |
| Salt: | CF3COOH |
| Smiles: | CCOC(C1CCCN(C1)c1ccc(cc1NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.955 |
| logD: | 0.5286 |
| logSw: | -3.9338 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.437 |
| InChI Key: | IJSZQXOANQRMFQ-AWEZNQCLSA-N |