5-(2-methylfuran-3-yl)-4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-methylfuran-3-yl)-4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-(2-methylfuran-3-yl)-4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-4288 |
| Compound Name: | 5-(2-methylfuran-3-yl)-4-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C18 H17 N5 O S |
| Smiles: | Cc1ccccc1Cn1cc(cn1)n1c(c2ccoc2C)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.1082 |
| logD: | 2.463 |
| logSw: | -2.9847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.196 |
| InChI Key: | SXJPMRYNPLWXAR-UHFFFAOYSA-N |