1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | D116-0337 |
| Compound Name: | 1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 341.34 |
| Molecular Formula: | C17 H16 F N5 O2 |
| Smiles: | COCC(n1c(NCc2ccc(cc2)F)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.151 |
| logD: | 1.0017 |
| logSw: | -1.0662 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.913 |
| InChI Key: | YAHYOIPVVQQKNV-UHFFFAOYSA-N |