1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | 6855-0404 |
| Compound Name: | 1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(3,4-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 452.9 |
| Molecular Formula: | C23 H21 Cl N4 O4 |
| Smiles: | COc1ccc(CC(n2c(NCc3ccco3)nc(c3ccc(cc3)[Cl])n2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.491 |
| logD: | 4.4883 |
| logSw: | -4.6878 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.709 |
| InChI Key: | CFDAPMINNHBEAB-UHFFFAOYSA-N |