1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | D116-0341 |
| Compound Name: | 1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 403.41 |
| Molecular Formula: | C22 H18 F N5 O2 |
| Smiles: | C(c1ccc(cc1)F)Nc1nc(c2cccnc2)nn1C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7383 |
| logD: | 2.589 |
| logSw: | -2.8168 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.717 |
| InChI Key: | OHHNOUXREFOLEZ-UHFFFAOYSA-N |