2-(azepan-1-yl)-5-[(2-chlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(2-chlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(2-chlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0334 |
| Compound Name: | 2-(azepan-1-yl)-5-[(2-chlorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 523.91 |
| Molecular Formula: | C18 H20 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CC1)c1c(cc(cn1)NS(c1ccccc1[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0683 |
| logD: | 2.4607 |
| logSw: | -4.0501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.15 |
| InChI Key: | FMONDKICUFJTFU-UHFFFAOYSA-N |