4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(3-methylphenoxy)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-[(3-methylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(3-methylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-3684 |
| Compound Name: | 4-(1,3-dimethyl-1H-pyrazol-4-yl)-5-{5-[(3-methylphenoxy)methyl]furan-2-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C19 H19 N5 O2 S |
| Smiles: | Cc1cccc(c1)OCc1ccc(c2nnc(n2c2cn(C)nc2C)S)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.9025 |
| logD: | 1.6701 |
| logSw: | -3.0867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.388 |
| InChI Key: | BRXNUNXNFHFREM-UHFFFAOYSA-N |