ethyl 5-{[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl](ethyl)carbamamido}-2,6-dimethylpyridine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl](ethyl)carbamamido}-2,6-dimethylpyridine-3-carboxylate
ethyl 5-{[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl](ethyl)carbamamido}-2,6-dimethylpyridine-3-carboxylate
Compound characteristics
Compound ID: | D039-3283 |
Compound Name: | ethyl 5-{[4-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)phenyl](ethyl)carbamamido}-2,6-dimethylpyridine-3-carboxylate |
Molecular Weight: | 511.5 |
Molecular Formula: | C24 H28 F3 N3 O6 |
Smiles: | CCN(C(Nc1cc(C(=O)OCC)c(C)nc1C)=O)c1ccc(cc1)C(C(=O)OCC)(C(F)(F)F)O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.4799 |
logD: | 4.4799 |
logSw: | -4.2179 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.054 |
InChI Key: | QOBBJWUGQMOUBU-HSZRJFAPSA-N |