3-(2,4-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
3-(2,4-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0184 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-5-{[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole |
| Molecular Weight: | 423.49 |
| Molecular Formula: | C21 H21 N5 O3 S |
| Smiles: | CCn1c(c2ccccc2)nnc1SCc1nc(c2ccc(cc2OC)OC)no1 |
| Stereo: | ACHIRAL |
| logP: | 4.6063 |
| logD: | 4.6062 |
| logSw: | -4.5333 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.483 |
| InChI Key: | CPHIGVWYTSSJNW-UHFFFAOYSA-N |