1-{5-[3-(1H-tetrazol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[3-(1H-tetrazol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[3-(1H-tetrazol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0157 |
| Compound Name: | 1-{5-[3-(1H-tetrazol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 430.35 |
| Molecular Formula: | C18 H13 F3 N8 O2 |
| Smiles: | CC(c1c(Nc2cccc(c2)n2cnnn2)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.541 |
| logD: | 3.541 |
| logSw: | -3.8491 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.423 |
| InChI Key: | CAIPUDNEJLFUTO-UHFFFAOYSA-N |