4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8665 |
| Compound Name: | 4-(2,4-dimethoxyphenyl)-5-{3-[(4-nitrophenoxy)methyl]phenyl}-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 464.5 |
| Molecular Formula: | C23 H20 N4 O5 S |
| Smiles: | COc1ccc(c(c1)OC)n1c(c2cccc(COc3ccc(cc3)[N+]([O-])=O)c2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.7214 |
| logD: | 3.1789 |
| logSw: | -4.7651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.94 |
| InChI Key: | VWNKSJIWZHZAAY-UHFFFAOYSA-N |