1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | D331-0612 |
| Compound Name: | 1-[5-({[4-(benzyloxy)phenyl]methyl}amino)-3-(furan-2-yl)-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C25 H26 N4 O3 |
| Smiles: | CC(C)(C)C(n1c(NCc2ccc(cc2)OCc2ccccc2)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6579 |
| logD: | 4.6579 |
| logSw: | -4.5867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.305 |
| InChI Key: | SYNKSLWSMMGINV-UHFFFAOYSA-N |