2-(3,4-dimethoxyphenyl)-1-(5-{[(furan-2-yl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-1-(5-{[(furan-2-yl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
2-(3,4-dimethoxyphenyl)-1-(5-{[(furan-2-yl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 6855-0188 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-1-(5-{[(furan-2-yl)methyl]amino}-3-phenyl-1H-1,2,4-triazol-1-yl)ethan-1-one |
| Molecular Weight: | 418.45 |
| Molecular Formula: | C23 H22 N4 O4 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccco3)nc(c3ccccc3)n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.7912 |
| logD: | 3.7886 |
| logSw: | -4.0652 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.709 |
| InChI Key: | XZNOGVZLYPPWGW-UHFFFAOYSA-N |