2-(azepan-1-yl)-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0336 |
| Compound Name: | 2-(azepan-1-yl)-5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 521.49 |
| Molecular Formula: | C19 H22 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1S(Nc1cc(C(O)=O)c(nc1)N1CCCCCC1)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 4.322 |
| logD: | 2.7144 |
| logSw: | -4.0019 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.15 |
| InChI Key: | BSZQQTMRSTWQOK-UHFFFAOYSA-N |