1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
Chemical Structure Depiction of
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one
Compound characteristics
Compound ID: | T404-0784 |
Compound Name: | 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[3-(trifluoromethyl)phenyl]ethan-1-one |
Molecular Weight: | 403.41 |
Molecular Formula: | C20 H20 F3 N5 O |
Smiles: | C1CN(CCN(C1)c1nnc2ccccn12)C(Cc1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 2.7756 |
logD: | 2.7756 |
logSw: | -3.0416 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 41.102 |
InChI Key: | CMZHSBUMNVYQCC-UHFFFAOYSA-N |