5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6149 |
| Compound Name: | 5-{5-[(4-ethoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C19 H23 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)OCc1ccc(c2nnc(n2CC(C)C)S)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.412 |
| logD: | 4.3042 |
| logSw: | -4.2431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.179 |
| InChI Key: | TWKJXDLVPHMUEX-UHFFFAOYSA-N |