1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | D116-0336 |
| Compound Name: | 1-[5-{[(4-fluorophenyl)methyl]amino}-3-(pyridin-3-yl)-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 339.37 |
| Molecular Formula: | C18 H18 F N5 O |
| Smiles: | CC(C)C(n1c(NCc2ccc(cc2)F)nc(c2cccnc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4192 |
| logD: | 2.2699 |
| logSw: | -2.1474 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.016 |
| InChI Key: | YPCJTDICOPOBBN-UHFFFAOYSA-N |