5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0121 |
| Compound Name: | 5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1nc(c2ccc(c(c2)OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 5.615 |
| logD: | 5.615 |
| logSw: | -5.6131 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.293 |
| InChI Key: | IRXYQAMOFBCKOJ-UHFFFAOYSA-N |