4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-fluorophenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-fluorophenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-fluorophenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-3683 |
| Compound Name: | 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-fluorophenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C18 H16 F N5 O2 S |
| Smiles: | Cc1c(cn(C)n1)n1c(c2ccc(COc3ccc(cc3)F)o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.4403 |
| logD: | 1.2078 |
| logSw: | -2.3191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.388 |
| InChI Key: | AHVPKYSPKCQCBW-UHFFFAOYSA-N |