1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | D331-0006 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(4-methylphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 326.35 |
| Molecular Formula: | C17 H18 N4 O3 |
| Smiles: | Cc1ccc(CNc2nc(c3ccco3)nn2C(COC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.9754 |
| logD: | 1.9754 |
| logSw: | -2.1984 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.974 |
| InChI Key: | RTQKLRPFCWPVIN-UHFFFAOYSA-N |