5-({[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
5-({[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0116 |
| Compound Name: | 5-({[5-benzyl-4-(3,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 467.59 |
| Molecular Formula: | C27 H25 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nc(CSc2nnc(Cc3ccccc3)n2c2ccc(C)c(C)c2)on1 |
| Stereo: | ACHIRAL |
| logP: | 7.0943 |
| logD: | 7.0943 |
| logSw: | -5.7932 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.032 |
| InChI Key: | SAWHFRXEILDUJB-UHFFFAOYSA-N |