5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D141-0136 |
| Compound Name: | 5-({[5-benzyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(2-ethoxyphenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C27 H25 N5 O2 S |
| Smiles: | CCOc1ccccc1c1nc(CSc2nnc(Cc3ccccc3)n2c2ccc(C)cc2)on1 |
| Stereo: | ACHIRAL |
| logP: | 5.9801 |
| logD: | 5.9801 |
| logSw: | -5.7217 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.242 |
| InChI Key: | HEKNFLVBICLTKD-UHFFFAOYSA-N |