3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8009-2975 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-(methylsulfanyl)-1H-1,2,4-triazole |
| Molecular Weight: | 251.3 |
| Molecular Formula: | C11 H13 N3 O2 S |
| Smiles: | COc1ccc(cc1OC)c1nc([nH]n1)SC |
| Stereo: | ACHIRAL |
| logP: | 2.129 |
| logD: | 1.5928 |
| logSw: | -2.6319 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.006 |
| InChI Key: | GGPQMXCYLPKVHO-UHFFFAOYSA-N |