3-(4-chlorophenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
3-(4-chlorophenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0082 |
| Compound Name: | 3-(4-chlorophenyl)-5-({[4-(4-ethoxyphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C20 H18 Cl N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1c(C)nnc1SCc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 4.751 |
| logD: | 4.751 |
| logSw: | -4.9402 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.228 |
| InChI Key: | ILYPPEWXZBAJNG-UHFFFAOYSA-N |