2-[benzyl(butyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0649 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.55 |
| Molecular Formula: | C24 H24 F2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1cc(ccc1F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6385 |
| logD: | 3.8064 |
| logSw: | -5.2033 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.989 |
| InChI Key: | AEMKSJDGGXVQDC-UHFFFAOYSA-N |