5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6135 |
| Compound Name: | 5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C19 H21 N3 O4 S |
| Smiles: | COc1ccc(cc1)OCc1ccc(c2nnc(n2CC2CCCO2)S)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8771 |
| logD: | 2.7693 |
| logSw: | -3.0313 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.981 |
| InChI Key: | CPIICTUHQXRHNO-OAHLLOKOSA-N |