1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | D331-0042 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2,2-dimethylpropan-1-one |
| Molecular Weight: | 338.41 |
| Molecular Formula: | C19 H22 N4 O2 |
| Smiles: | Cc1ccc(CNc2nc(c3ccco3)nn2C(C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6669 |
| logD: | 3.6669 |
| logSw: | -3.6952 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.077 |
| InChI Key: | DQAUBEPOHDEGGO-UHFFFAOYSA-N |