1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one
Compound characteristics
| Compound ID: | D331-0002 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methylpropan-1-one |
| Molecular Weight: | 324.38 |
| Molecular Formula: | C18 H20 N4 O2 |
| Smiles: | CC(C)C(n1c(NCc2ccc(C)cc2)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2436 |
| logD: | 3.2436 |
| logSw: | -3.3821 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.077 |
| InChI Key: | RAVOJIDZGDRDSB-UHFFFAOYSA-N |