2-(azepan-1-yl)-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0338 |
| Compound Name: | 2-(azepan-1-yl)-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 524.46 |
| Molecular Formula: | C19 H20 F2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)c1ccc(cc1C(O)=O)NS(c1cc(ccc1F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.349 |
| logD: | 2.2333 |
| logSw: | -4.1133 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.779 |
| InChI Key: | HDUUZGOKJQPQQV-UHFFFAOYSA-N |