5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5660 |
| Compound Name: | 5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C20 H23 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)OCc1ccc(c2nnc(n2CC2CCCO2)S)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2637 |
| logD: | 3.1559 |
| logSw: | -3.1493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.561 |
| InChI Key: | GYYFPDLGOCOBIM-MRXNPFEDSA-N |