1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | D331-0174 |
| Compound Name: | 1-[5-{[(3,4-dimethoxyphenyl)methyl]amino}-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]butan-1-one |
| Molecular Weight: | 370.41 |
| Molecular Formula: | C19 H22 N4 O4 |
| Smiles: | CCCC(n1c(NCc2ccc(c(c2)OC)OC)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.691 |
| logD: | 2.691 |
| logSw: | -2.9162 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.811 |
| InChI Key: | OLJVOQQLVKIUBT-UHFFFAOYSA-N |