1-{2-(4-fluorophenyl)-5-[2-(1H-pyrrol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{2-(4-fluorophenyl)-5-[2-(1H-pyrrol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one
1-{2-(4-fluorophenyl)-5-[2-(1H-pyrrol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D153-0076 |
| Compound Name: | 1-{2-(4-fluorophenyl)-5-[2-(1H-pyrrol-1-yl)anilino]-2H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 361.38 |
| Molecular Formula: | C20 H16 F N5 O |
| Smiles: | CC(c1c(Nc2ccccc2n2cccc2)nn(c2ccc(cc2)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.845 |
| logD: | 3.845 |
| logSw: | -3.9605 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.708 |
| InChI Key: | YJBLMDIQBVIQRN-UHFFFAOYSA-N |