1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0153 |
| Compound Name: | 1-{5-[(5-methoxyquinolin-8-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 443.38 |
| Molecular Formula: | C21 H16 F3 N5 O3 |
| Smiles: | CC(c1c(Nc2ccc(c3cccnc23)OC)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5653 |
| logD: | 4.5652 |
| logSw: | -4.3956 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.123 |
| InChI Key: | BSPIEWWCABHBBH-UHFFFAOYSA-N |