1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-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-methoxyethan-1-one
1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one
Compound characteristics
| Compound ID: | D116-0005 |
| Compound Name: | 1-[3-(furan-2-yl)-5-{[(thiophen-2-yl)methyl]amino}-1H-1,2,4-triazol-1-yl]-2-methoxyethan-1-one |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | COCC(n1c(NCc2cccs2)nc(c2ccco2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.527 |
| logD: | 1.527 |
| logSw: | -2.2323 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.992 |
| InChI Key: | MDBKLZBETIVLIC-UHFFFAOYSA-N |