5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8713 |
| Compound Name: | 5-{5-[(4-tert-butylphenoxy)methyl]furan-2-yl}-4-(2,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1ccc(c2nnc(n2c2ccc(cc2OC)OC)S)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.9053 |
| logD: | 4.9566 |
| logSw: | -5.6011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.4 |
| InChI Key: | HYKJGNCXOXVGET-UHFFFAOYSA-N |