5-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
5-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-8830 |
| Compound Name: | 5-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-yl}-4-{1-[(4-methylphenyl)methyl]-1H-pyrazol-4-yl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 445.55 |
| Molecular Formula: | C23 H23 N7 O S |
| Smiles: | Cc1ccc(Cn2cc(cn2)n2c(c3ccc(Cn4c(C)cc(C)n4)o3)nnc2S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8111 |
| logD: | 2.376 |
| logSw: | -2.7229 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.54 |
| InChI Key: | OZFVHAHJQWYRGT-UHFFFAOYSA-N |