2-[benzyl(ethyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0031 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(3,4-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 560.5 |
| Molecular Formula: | C22 H20 F2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(c(c1)F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7219 |
| logD: | 2.8898 |
| logSw: | -4.3783 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.735 |
| InChI Key: | MSRRSLITLSUSJL-UHFFFAOYSA-N |