3-(3,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
3-(3,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0059 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | Cc1cccc(c1)n1c(C)nnc1SCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8775 |
| logD: | 3.8773 |
| logSw: | -4.0377 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.365 |
| InChI Key: | ZMXWBRPHSJLCKF-UHFFFAOYSA-N |