4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-methoxyphenoxy)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-methoxyphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4287 |
| Compound Name: | 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 397.45 |
| Molecular Formula: | C19 H19 N5 O3 S |
| Smiles: | Cc1c(cn(C)n1)n1c(c2ccc(COc3ccc(cc3)OC)o2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.3936 |
| logD: | 1.1612 |
| logSw: | -2.3019 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.931 |
| InChI Key: | VXIYKQDJQQHDEC-UHFFFAOYSA-N |