1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | D116-0085 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(4-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: | COc1ccc(CNc2nc(c3ccco3)nn2C(COc2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1217 |
| logD: | 3.1217 |
| logSw: | -3.2521 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.321 |
| InChI Key: | DOJULTBVCPDHBB-UHFFFAOYSA-N |