5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8636 |
| Compound Name: | 5-[4-(difluoromethoxy)-3-ethoxyphenyl]-4-[(furan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 367.37 |
| Molecular Formula: | C16 H15 F2 N3 O3 S |
| Smiles: | CCOc1cc(ccc1OC(F)F)c1nnc(n1Cc1ccco1)S |
| Stereo: | ACHIRAL |
| logP: | 2.8722 |
| logD: | 2.2418 |
| logSw: | -3.072 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.365 |
| InChI Key: | KTJCVIGXFSVBKU-UHFFFAOYSA-N |