4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y508-9062 |
| Compound Name: | 4-{[(5-{[(2,3-dihydro-1H-inden-5-yl)oxy]methyl}furan-2-yl)methylidene]amino}-5-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 368.46 |
| Molecular Formula: | C19 H20 N4 O2 S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(COc2ccc3CCCc3c2)o1)S |
| Stereo: | ACHIRAL |
| logP: | 3.756 |
| logD: | 3.2633 |
| logSw: | -3.8722 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.852 |
| InChI Key: | QPMVSZKQOCCJOD-UHFFFAOYSA-N |