3-(2,4-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
3-(2,4-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0203 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C22 H23 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)n1c(C)nnc1SCc1nc(c2ccc(cc2OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.8895 |
| logD: | 3.8895 |
| logSw: | -4.0364 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 79.402 |
| InChI Key: | JEHCPDNALOSJMA-UHFFFAOYSA-N |