3-(3,4-dimethoxyphenyl)-5-({[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-5-({[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
3-(3,4-dimethoxyphenyl)-5-({[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0136 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-5-({[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | COc1ccc(cc1OC)c1nc(CSc2nnc(CCc3ccccc3)n2c2ccccc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.584 |
| logD: | 5.584 |
| logSw: | -5.6113 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.293 |
| InChI Key: | IUKORXLQAZEIJE-UHFFFAOYSA-N |