1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)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-[4-(trifluoromethoxy)phenyl]ethan-1-one
1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | T404-0856 |
| Compound Name: | 1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethan-1-one |
| Molecular Weight: | 419.4 |
| Molecular Formula: | C20 H20 F3 N5 O2 |
| Smiles: | C1CN(CCN(C1)c1nnc2ccccn12)C(Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1646 |
| logD: | 3.1645 |
| logSw: | -3.3138 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.038 |
| InChI Key: | LDZXWVZAPDFJMU-UHFFFAOYSA-N |