1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | D331-0120 |
| Compound Name: | 1-[5-{[(4-fluorophenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 330.32 |
| Molecular Formula: | C16 H15 F N4 O3 |
| Smiles: | COCC(n1c(NCc2ccc(cc2)F)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5811 |
| logD: | 1.5811 |
| logSw: | -1.8102 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.974 |
| InChI Key: | RGFIFPUZLYFDGY-UHFFFAOYSA-N |