1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Chemical Structure Depiction of
1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one
Compound characteristics
| Compound ID: | D331-0181 |
| Compound Name: | 1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-phenylethan-1-one |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | COc1ccc(CNc2nc(c3ccco3)nn2C(Cc2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0915 |
| logD: | 3.0888 |
| logSw: | -3.3233 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.539 |
| InChI Key: | IZWRWEMRBIORMO-UHFFFAOYSA-N |