5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8542 |
| Compound Name: | 5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(c2ccc(COc3ccc(cc3)OCC)o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.8463 |
| logD: | 3.8976 |
| logSw: | -4.575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.774 |
| InChI Key: | QSTZNNKOXRHUCK-UHFFFAOYSA-N |