5-{5-[(2-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(2-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(2-methoxyphenoxy)methyl]furan-2-yl}-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y509-0051 |
| Compound Name: | 5-{5-[(2-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(COc3ccccc3OC)o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.7901 |
| logD: | 3.6823 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.772 |
| InChI Key: | GJTDVKWQSWIHSD-UHFFFAOYSA-N |