5-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
5-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0179 |
| Compound Name: | 5-({[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2,5-dimethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 443.91 |
| Molecular Formula: | C20 H18 Cl N5 O3 S |
| Smiles: | Cn1c(c2ccc(cc2)[Cl])nnc1SCc1nc(c2cc(ccc2OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6018 |
| logD: | 4.6017 |
| logSw: | -4.9031 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.568 |
| InChI Key: | ZBCBCRXGRKEMKY-UHFFFAOYSA-N |