1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0152 |
| Compound Name: | 1-{5-[(quinolin-5-yl)amino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 413.36 |
| Molecular Formula: | C20 H14 F3 N5 O2 |
| Smiles: | CC(c1c(Nc2cccc3c2cccn3)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2291 |
| logD: | 4.226 |
| logSw: | -4.3495 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.722 |
| InChI Key: | ZTVXGIPFQCMIFT-UHFFFAOYSA-N |