1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | D331-0321 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(2-methoxyphenyl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C19 H22 N4 O3 |
| Smiles: | CC(C)CC(n1c(NCc2ccccc2OC)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4741 |
| logD: | 3.4741 |
| logSw: | -3.6161 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.18 |
| InChI Key: | OPIIIKLRYZGVBJ-UHFFFAOYSA-N |