6-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0319 |
| Compound Name: | 6-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 549.52 |
| Molecular Formula: | C20 H25 N3 O6 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(c(c1)S(Nc1cc(cnc1N1CCCCCC1)C(O)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6158 |
| logD: | 0.9664 |
| logSw: | -3.7306 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.627 |
| InChI Key: | UGYJYGSHMRJINE-UHFFFAOYSA-N |