1-{3-[3-(oxan-4-yl)-4H-1,2,4-triazol-4-yl]azetidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Chemical Structure Depiction of
1-{3-[3-(oxan-4-yl)-4H-1,2,4-triazol-4-yl]azetidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
1-{3-[3-(oxan-4-yl)-4H-1,2,4-triazol-4-yl]azetidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one
Compound characteristics
| Compound ID: | CM4297-2665 |
| Compound Name: | 1-{3-[3-(oxan-4-yl)-4H-1,2,4-triazol-4-yl]azetidin-1-yl}-2-[4-(trifluoromethoxy)phenyl]ethan-1-one |
| Molecular Weight: | 410.39 |
| Molecular Formula: | C19 H21 F3 N4 O3 |
| Smiles: | C1COCCC1c1nncn1C1CN(C1)C(Cc1ccc(cc1)OC(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5018 |
| logD: | 2.5016 |
| logSw: | -2.4403 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.779 |
| InChI Key: | YFAGBDFBZVZWIN-UHFFFAOYSA-N |