1-{5-[2-(1H-pyrrol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-[2-(1H-pyrrol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{5-[2-(1H-pyrrol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D157-0073 |
| Compound Name: | 1-{5-[2-(1H-pyrrol-1-yl)anilino]-2-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 427.38 |
| Molecular Formula: | C21 H16 F3 N5 O2 |
| Smiles: | CC(c1c(Nc2ccccc2n2cccc2)nn(c2ccc(cc2)OC(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0071 |
| logD: | 5.0071 |
| logSw: | -4.5692 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.644 |
| InChI Key: | URFMPHXWWBWIEX-UHFFFAOYSA-N |