1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one
1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one
Compound characteristics
| Compound ID: | D331-0608 |
| Compound Name: | 1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2-(4-chlorophenyl)ethan-1-one |
| Molecular Weight: | 498.97 |
| Molecular Formula: | C28 H23 Cl N4 O3 |
| Smiles: | C(C(n1c(NCc2ccc(cc2)OCc2ccccc2)nc(c2ccco2)n1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4856 |
| logD: | 5.478 |
| logSw: | -6.0016 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.506 |
| InChI Key: | LXLQBNDIIXFKDJ-UHFFFAOYSA-N |