5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0079 |
| Compound Name: | 5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCOc1ccc(cc1)n1c(C)nnc1SCc1nc(c2ccccc2OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 3.69 |
| logD: | 3.6899 |
| logSw: | -3.9731 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.858 |
| InChI Key: | ZBGKDQMUKSPOMA-UHFFFAOYSA-N |