5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
Chemical Structure Depiction of
5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
Compound characteristics
| Compound ID: | D065-0170 |
| Compound Name: | 5-({[5-benzyl-4-(4-ethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole |
| Molecular Weight: | 488.01 |
| Molecular Formula: | C26 H22 Cl N5 O S |
| Smiles: | CCc1ccc(cc1)n1c(Cc2ccccc2)nnc1SCc1nc(c2ccc(cc2)[Cl])no1 |
| Stereo: | ACHIRAL |
| logP: | 7.0945 |
| logD: | 7.0945 |
| logSw: | -6.5693 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.032 |
| InChI Key: | CZHTXURCRDJVQG-UHFFFAOYSA-N |