3-(2,4-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(2,4-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
3-(2,4-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0183 |
| Compound Name: | 3-(2,4-dimethoxyphenyl)-5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1,2,4-oxadiazole |
| Molecular Weight: | 471.54 |
| Molecular Formula: | C25 H21 N5 O3 S |
| Smiles: | COc1ccc(c(c1)OC)c1nc(CSc2nnc(c3ccccc3)n2c2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.4429 |
| logD: | 5.4429 |
| logSw: | -5.6099 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 71.23 |
| InChI Key: | HLNMGNJRKNEKFT-UHFFFAOYSA-N |