1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one
Compound characteristics
Compound ID: | 6855-0405 |
Compound Name: | 1-[3-(4-chlorophenyl)-5-{[(furan-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-phenoxyethan-1-one |
Molecular Weight: | 408.84 |
Molecular Formula: | C21 H17 Cl N4 O3 |
Smiles: | C(c1ccco1)Nc1nc(c2ccc(cc2)[Cl])nn1C(COc1ccccc1)=O |
Stereo: | ACHIRAL |
logP: | 4.5352 |
logD: | 4.5352 |
logSw: | -4.8599 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 63.948 |
InChI Key: | FJOYWRZRJVYOJQ-UHFFFAOYSA-N |