1-[3-(furan-2-yl)-5-{[(5-methylfuran-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]pentan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(5-methylfuran-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]pentan-1-one
1-[3-(furan-2-yl)-5-{[(5-methylfuran-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]pentan-1-one
Compound characteristics
| Compound ID: | D331-0061 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(5-methylfuran-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]pentan-1-one |
| Molecular Weight: | 328.37 |
| Molecular Formula: | C17 H20 N4 O3 |
| Smiles: | CCCCC(n1c(NCc2ccc(C)o2)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4353 |
| logD: | 3.4353 |
| logSw: | -3.4994 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.813 |
| InChI Key: | RQXREDQGUXPDLH-UHFFFAOYSA-N |