1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | D116-0080 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(4-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 340.38 |
| Molecular Formula: | C18 H20 N4 O3 |
| Smiles: | CC(C)C(n1c(NCc2ccc(cc2)OC)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8026 |
| logD: | 2.8026 |
| logSw: | -3.2157 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.621 |
| InChI Key: | UZACQDQQIKZPSM-UHFFFAOYSA-N |