1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one
Compound characteristics
| Compound ID: | D116-0026 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-3-methylbutan-1-one |
| Molecular Weight: | 330.41 |
| Molecular Formula: | C16 H18 N4 O2 S |
| Smiles: | CC(C)CC(n1c(NCc2cccs2)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2278 |
| logD: | 3.2278 |
| logSw: | -3.4747 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.568 |
| InChI Key: | PVUIIIMOFVHBIU-UHFFFAOYSA-N |