2-(azepan-1-yl)-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F293-0325 |
Compound Name: | 2-(azepan-1-yl)-5-[(2,4-dimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 517.52 |
Molecular Formula: | C20 H25 N3 O4 S |
Salt: | CF3COOH |
Smiles: | Cc1ccc(c(C)c1)S(Nc1cc(C(O)=O)c(nc1)N1CCCCCC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7987 |
logD: | 3.1912 |
logSw: | -4.0865 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.15 |
InChI Key: | GGOZFBQMSBHCTH-UHFFFAOYSA-N |