5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5670 |
| Compound Name: | 5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C18 H21 N3 O3 S |
| Smiles: | CC(C)Cn1c(c2ccc(COc3ccc(cc3)OC)o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.0254 |
| logD: | 3.9176 |
| logSw: | -4.2092 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.599 |
| InChI Key: | KDCIUYIWNITNHU-UHFFFAOYSA-N |