3-(3,4-dimethoxyphenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8006-4065 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-{[(4-methoxy-3-nitrophenyl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C24 H22 N4 O5 S |
| Smiles: | COc1ccc(CSc2nnc(c3ccc(c(c3)OC)OC)n2c2ccccc2)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3683 |
| logD: | 4.3683 |
| logSw: | -4.4254 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.684 |
| InChI Key: | XZNJCYSQYPTCSM-UHFFFAOYSA-N |