3-(4-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(4-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(4-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8012-3380 |
| Compound Name: | 3-(4-methoxyphenyl)-5-{[(4-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C22 H18 N4 O3 S |
| Smiles: | COc1ccc(cc1)c1nnc(n1c1ccccc1)SCc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8985 |
| logD: | 4.8985 |
| logSw: | -4.6879 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.638 |
| InChI Key: | VZQUJSZIPOGLAO-UHFFFAOYSA-N |