1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | D116-0007 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 394.45 |
| Molecular Formula: | C20 H18 N4 O3 S |
| Smiles: | COc1ccc(CC(n2c(NCc3cccs3)nc(c3ccco3)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.434 |
| logD: | 3.4313 |
| logSw: | -3.7303 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.84 |
| InChI Key: | IKAUMXWDBUBWPU-UHFFFAOYSA-N |