2-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(2,5-dimethoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0319 |
| Compound Name: | 2-(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(C(O)=O)c(nc1)N1CCCCCC1)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.7458 |
| logD: | 2.1382 |
| logSw: | -3.8282 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.324 |
| InChI Key: | KKQNHKWWZYWUTF-UHFFFAOYSA-N |