1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | D331-0292 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | COc1ccccc1CNc1nc(c2ccco2)nn1C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3607 |
| logD: | 3.3607 |
| logSw: | -3.5362 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.408 |
| InChI Key: | VQKCPAXUIXLQMX-UHFFFAOYSA-N |