2-(4-chlorophenoxy)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(4-chlorophenoxy)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
2-(4-chlorophenoxy)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D116-0359 |
| Compound Name: | 2-(4-chlorophenoxy)-1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]ethan-1-one |
| Molecular Weight: | 437.86 |
| Molecular Formula: | C22 H17 Cl F N5 O2 |
| Smiles: | C(c1ccc(cc1)F)Nc1nc(c2cccnc2)nn1C(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3616 |
| logD: | 3.2122 |
| logSw: | -3.8091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.717 |
| InChI Key: | BHXQNNCWZSHBRJ-UHFFFAOYSA-N |