2-(azepan-1-yl)-5-[(4-cyclohexylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azepan-1-yl)-5-[(4-cyclohexylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azepan-1-yl)-5-[(4-cyclohexylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F293-0318 |
Compound Name: | 2-(azepan-1-yl)-5-[(4-cyclohexylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 571.62 |
Molecular Formula: | C24 H31 N3 O4 S |
Salt: | CF3COOH |
Smiles: | C1CCC(CC1)c1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N1CCCCCC1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 6.263 |
logD: | 4.6554 |
logSw: | -5.4796 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.071 |
InChI Key: | NCKKWOSOAUNFIM-UHFFFAOYSA-N |